Common name
1-methylpiperidine
IUPAC name
1-methylpiperidine
SMILES
CN1CCCCC1
Common name
1-methylpiperidine
IUPAC name
1-methylpiperidine
SMILES
CN1CCCCC1
INCHI
InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3
FORMULA
C6H13N
Common name
1-methylpiperidine
IUPAC name
1-methylpiperidine
Molecular weight
99.174
clogP
1.483
clogS
-0.911
Frequency
0.0172
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00807 | Naratriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; | For the acute treatment of migraine attacks with or without aura in adults. |
| FDBD00816 | Mepivacaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; | For production of local or regional analgesia and anesthesia by local infiltration, peripheral nerve block techniques, and central neural techniques including epidural and caudal blocks. |
| FDBD00856 | Levobupivacaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | For the production of local or regional anesthesia for surgery and obstetrics, and for post-operative pain management. |
| FDBD00931 | Diphenoxylate |
|
Analgesics, Opioid; Antidiarrheals; Antiperistaltic Agents; Alimentary Tract and Metabolism; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Antipropulsives; | For as adjunctive therapy in the management of diarrhea. |
| FDBD00950 | Pimozide |
|
Antipsychotic Agents; Dopamine Antagonists; Anti-Dyskinesia Agents; Nervous System; Psycholeptics; Diphenylbutylpiperidine Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used for the suppression of motor and phonic tics in patients with Tourette's Disorder who have failed to respond satisfactorily to standard treatment. |
| FDBD00994 | Diphenylpyraline |
|
Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | For use in the treatment of allergic rhinitis, hay fever, and allergic skin disorders. |
| FDBD00996 | Flavoxate |
|
Parasympatholytics; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; | For symptomatic relief of dysuria, urgency, nocturia, suprapubic pain, frequency and incontinence as may occur in cystitis, prostatitis, urethritis, urethrocystitis/urethrotrigonitis. |
| FDBD01030 | Domperidone |
|
Antiprotozoal Agents; Antiemetics; Dopamine Antagonists; Alimentary Tract and Metabolism; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Drugs for Functional Gastrointestinal Disorders; Propulsives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For management of dyspepsia, heartburn, epigastric pain, nausea, and vomiting. |
| FDBD01073 | Encainide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Encainide is a class Ic antiarrhythmic agent which was used for management of irregular heartbeats, such as atrial fibrillation, atrial flutter, ventricular tachycardia, and ventricular fibrillation. |
| FDBD01075 | Diphenidol |
|
Antiemetics; | For use in the prevention and symptomatic treatment of peripheral (labyrinthine) vertigo and associated nausea and vomiting that occur in such conditions as Meniere's disease and surgery of the middle and inner ear. Also for the control of nausea and vomiting associated with postoperative states, malignant neoplasms, labyrinthine disturbances, antineoplastic agent therapy, radiation sickness, and infectious diseases. |
50 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bys_ligand_frag_3.mol2 | 2bys | 1 | -6.50 | C1CCCC[NH+]1C | 7 |
| 2iog_ligand_1_10.mol2 | 2iog | 1 | -6.37 | [NH+]1(CCCCC1)C | 7 |
| 3m8q_ligand_1_4.mol2 | 3m8q | 1 | -6.30 | C[NH+]1CCCCC1 | 7 |
| 1o79_ligand_1_0.mol2 | 1o79 | 1 | -6.29 | C1CC[NH+](CC1)C | 7 |
| 1eve_ligand_1_4.mol2 | 1eve | 1 | -6.25 | C[NH+]1CCCCC1 | 7 |
| 3i6m_ligand_1_4.mol2 | 3i6m | 1 | -6.20 | [NH+]1(CCCCC1)C | 7 |
| 4li8_ligand_1_4.mol2 | 4li8 | 1 | -6.20 | [NH+]1(CCCCC1)C | 7 |
| 2y1w_ligand_1_2.mol2 | 2y1w | 1 | -6.18 | C[NH+]1CCCCC1 | 7 |
123 ,
13
