Common name
N-(1-methyl-4-piperidyl)formamide
IUPAC name
N-(1-methyl-4-piperidyl)formamide
SMILES
O=CNC1CCN(CC1)C
Common name
N-(1-methyl-4-piperidyl)formamide
IUPAC name
N-(1-methyl-4-piperidyl)formamide
SMILES
O=CNC1CCN(CC1)C
INCHI
InChI=1S/C7H14N2O/c1-9-4-2-7(3-5-9)8-6-10/h6-7H,2-5H2,1H3,(H,8,10)
FORMULA
C7H14N2O
Common name
N-(1-methyl-4-piperidyl)formamide
IUPAC name
N-(1-methyl-4-piperidyl)formamide
Molecular weight
142.199
clogP
0.291
clogS
-0.736
Frequency
0.0027
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.34
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00469 | Cisapride |
|
Gastrointestinal Agents; Anti-Ulcer Agents; Serotonin Receptor Agonists; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the symptomatic treatment of adult patients with nocturnal heartburn due to gastroesophageal reflux disease. |
| FDBD00572 | Sufentanil |
|
Anesthetics, Intravenous; Analgesics, Opioid; Narcotics; Adjuvants, Anesthesia; Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; CYP3A4 Inhibitors; | Used as an analgesic adjunct in anesthesia and as a primary anesthetic drug in procedures requiring assisted ventilation and in the relief of pain. |
| FDBD00664 | Alfentanil |
|
Anesthetics, Intravenous; Analgesics, Opioid; Narcotics; Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; CYP3A4 Inhibitors; | For the management of postoperative pain and the maintenance of general anesthesia. |
| FDBD00675 | Fentanyl |
|
Analgesics; Anesthetics, Intravenous; Analgesics, Opioid; Narcotics; Adjuvants, Anesthesia; Anesthetics; Adjuvants; Nervous System; Opioids; Anesthetics, General; Phenylpiperidine Derivatives; Opioid Anesthetics; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of cancer patients with severe pain that breaks through their regular narcotic therapy. |
| FDBD00757 | Remifentanil |
|
Hypnotics and Sedatives; Anesthetics, Intravenous; Analgesics, Opioid; Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; | For use during the induction and maintenance of general anesthesia. |
| FDBD01418 | Prucalopride |
|
Alimentary Tract and Metabolism; Drugs for Constipation; | Investigated for use/treatment in constipation, ileus, and pediatric indications. |
| FDBD01526 | Cinitapride |
|
; | For the treatment of gastrointestinal disorders associated with motility disturbances such as gastroesophageal reflux disease, non-ulcer dyspepsia and delayed gastric emptying. |
| FDBD01537 | Lomitapide |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; CYP3A4 Inhibitors; | Used in homozygous familial hypercholesterolemia (HoFH) patients to reduce low-density lipoprotein cholesterol (LDL-C), total cholesterol (TC), apolipoprotein B (apo B), and non-high-density lipoprotein cholesterol (non-HDL-C). |
8 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2r9m_ligand_1_4.mol2 | 2r9m | 1 | -5.81 | C(=O)N[C@H]1CC[N@H+](CC1)C | 10 |
| 5aix_ligand_2_12.mol2 | 5aix | 1 | -5.79 | C(=O)N[C@@H]1CC[N@@H+](C)CC1 | 10 |
| 2igx_ligand_3_185.mol2 | 2igx | 1 | -5.50 | O=CN(C)[C@@H]1CC[N@H+](CC1)C | 11 |
| 2rku_ligand_1_4.mol2 | 2rku | 1 | -5.47 | C(=O)N[C@@H]1CC[N@H+](CC1)C | 10 |
| 2igx_ligand_2_46.mol2 | 2igx | 1 | -5.41 | O=CN[C@@H]1CC[N@H+](CC1)C | 10 |
| 2igy_ligand_3_230.mol2 | 2igy | 1 | -5.40 | O=CN(C)[C@@H]1CC[N@@H+](C)CC1 | 11 |
| 4i5m_ligand_1_4.mol2 | 4i5m | 1 | -5.38 | [C@@H]1(CC[N@@H+](CC1)C)NC=O | 10 |
| 4j53_ligand_1_1.mol2 | 4j53 | 1 | -5.34 | O=CN[C@H]1CC[N@@H+](CC1)C | 10 |
| 2igy_ligand_2_51.mol2 | 2igy | 1 | -5.32 | O=CN[C@@H]1CC[N@@H+](C)CC1 | 10 |
115 ,
12
