Common name
piperidine
IUPAC name
piperidine
SMILES
N1CCCCC1
Common name
piperidine
IUPAC name
piperidine
SMILES
N1CCCCC1
INCHI
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
FORMULA
C5H11N
Common name
piperidine
IUPAC name
piperidine
Molecular weight
85.148
clogP
1.751
clogS
-1.211
Frequency
0.0199
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01041 | Flecainide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Flecainide is is a class Ic antiarrhythmic agent and as such, it is used for the prevention of paroxysmal supraventricular tachycardias (PSVT), including atrioventricular nodal reentrant tachycardia, atrioventricular reentrant tachycardia and other supraventricular tachycardias of unspecified mechanism associated with disablin. |
| 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. |
| FDBD01108 | Paliperidone |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; Dopamine D2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Alpha2 Agonists; | For the treatment of schizophrenia. |
| FDBD01143 | Vecuronium |
|
Neuromuscular Nondepolarizing Agents; Nicotinic Antagonists; Musculo-Skeletal System; Muscle Relaxants; Muscle Relaxants, Peripherally Acting Agents; | Vecuronium is a muscle relaxing agent and is used as an ajunct in general anesthesia. |
| FDBD01270 | Pipotiazine |
|
Antipsychotic Agents; Phenothiazines; Nervous System; Psycholeptics; Phenothiazines With Piperidine Structure; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the maintenance treatment of chronic non-agitated schizophrenic patients. |
| FDBD01342 | Bepotastine |
|
Mast Cell Stabilizers; | For the symptomatic treatment of itchy eyes (caused by IgE-induced mast cell degranulation) due to allergic conjunctivitis. |
| FDBD01352 | Iloperidone |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Treatment of acute schizophrenia. |
| FDBD01360 | Cobimetinib |
|
Antineoplastic Agents; | For the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation. Cobimetinib is used in combination with vemurafenib, a BRAF inhibitor. |
| FDBD01374 | Sertindole |
|
Antipsychotic Agents; Nervous System; Psycholeptics; Indole Derivatives; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Used in the treatment of schizophrenia. |
| FDBD01379 | Rimonabant |
|
Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; CYP3A4 Inhibitors; | For use in conjunction with diet and exercise for patients with a body mass index greater than 30 kg/m. |
58 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iog_ligand_frag_11.mol2 | 2iog | 1 | -6.32 | [NH2+]1CCCCC1 | 6 |
| 3juo_ligand_frag_1.mol2 | 3juo | 1 | -6.31 | C1C[NH2+]CCC1 | 6 |
| 3juq_ligand_frag_1.mol2 | 3juq | 1 | -6.31 | C1C[NH2+]CCC1 | 6 |
| 3jup_ligand_frag_1.mol2 | 3jup | 1 | -6.30 | C1C[NH2+]CCC1 | 6 |
| 1b8y_ligand_frag_1.mol2 | 1b8y | 1 | -6.28 | C1CCC[NH2+]C1 | 6 |
| 1ciz_ligand_frag_0.mol2 | 1ciz | 1 | -6.28 | [NH2+]1CCCCC1 | 6 |
| 4ow0_ligand_frag_3.mol2 | 4ow0 | 1 | -6.27 | C1CC[NH2+]CC1 | 6 |
| 1caq_ligand_frag_0.mol2 | 1caq | 1 | -6.26 | [NH2+]1CCCCC1 | 6 |
| 4mm4_ligand_frag_2.mol2 | 4mm4 | 1 | -6.26 | C1CCCC[NH2+]1 | 6 |
301 ,
31
