Common name
N-(1-methyl-4-piperidyl)propanamide
IUPAC name
N-(1-methyl-4-piperidyl)propanamide
SMILES
CN1CCC(CC1)NC(=O)CC
Common name
N-(1-methyl-4-piperidyl)propanamide
IUPAC name
N-(1-methyl-4-piperidyl)propanamide
SMILES
CN1CCC(CC1)NC(=O)CC
INCHI
InChI=1S/C9H18N2O/c1-3-9(12)10-8-4-6-11(2)7-5-8/h8H,3-7H2,1-2H3,(H,10,12)
FORMULA
C9H18N2O
Common name
N-(1-methyl-4-piperidyl)propanamide
IUPAC name
N-(1-methyl-4-piperidyl)propanamide
Molecular weight
170.252
clogP
0.798
clogS
-1.548
Frequency
0.0014
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.34
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2r9m_ligand_3_11.mol2 | 2r9m | 1 | -6.30 | C(=O)(N[C@H]1CC[N@H+](CC1)C)CC | 12 |
| 2r9m_ligand_2_10.mol2 | 2r9m | 0.933333 | -6.07 | C(=O)(N[C@H]1CC[N@H+](CC1)C)C | 11 |
| 2r9m_ligand_1_4.mol2 | 2r9m | 0.9 | -5.81 | C(=O)N[C@H]1CC[N@H+](CC1)C | 10 |
| 5aix_ligand_2_12.mol2 | 5aix | 0.9 | -5.79 | C(=O)N[C@@H]1CC[N@@H+](C)CC1 | 10 |
| 2igx_ligand_3_185.mol2 | 2igx | 0.9 | -5.50 | O=CN(C)[C@@H]1CC[N@H+](CC1)C | 11 |
| 2rku_ligand_1_4.mol2 | 2rku | 0.9 | -5.47 | C(=O)N[C@@H]1CC[N@H+](CC1)C | 10 |
| 2igx_ligand_2_46.mol2 | 2igx | 0.9 | -5.41 | O=CN[C@@H]1CC[N@H+](CC1)C | 10 |
| 2igy_ligand_3_230.mol2 | 2igy | 0.9 | -5.40 | O=CN(C)[C@@H]1CC[N@@H+](C)CC1 | 11 |
| 4i5m_ligand_1_4.mol2 | 4i5m | 0.9 | -5.38 | [C@@H]1(CC[N@@H+](CC1)C)NC=O | 10 |
101 ,
11
