Common name
N-(1-ethyl-4-piperidyl)propanamide
IUPAC name
N-(1-ethyl-4-piperidyl)propanamide
SMILES
C(C)C(=O)NC1CCN(CC1)CC
Common name
N-(1-ethyl-4-piperidyl)propanamide
IUPAC name
N-(1-ethyl-4-piperidyl)propanamide
SMILES
C(C)C(=O)NC1CCN(CC1)CC
INCHI
InChI=1S/C10H20N2O/c1-3-10(13)11-9-5-7-12(4-2)8-6-9/h9H,3-8H2,1-2H3,(H,11,13)
FORMULA
C10H20N2O
Common name
N-(1-ethyl-4-piperidyl)propanamide
IUPAC name
N-(1-ethyl-4-piperidyl)propanamide
Molecular weight
184.279
clogP
1.156
clogS
-1.959
Frequency
0.0014
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.34
Number of Rings
1
Rotatable Bond
3
| 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 | 0.967742 | -6.30 | C(=O)(N[C@H]1CC[N@H+](CC1)C)CC | 12 |
| 1w2x_ligand_1_1.mol2 | 1w2x | 0.90625 | -6.95 | C1(CCN(CC1)C=O)[NH+]1CCCCC1 | 14 |
| 3ff6_ligand_1_1.mol2 | 3ff6 | 0.90625 | -6.76 | C1(CCN(CC1)C=O)[NH+]1CCCCC1 | 14 |
| 2r9m_ligand_2_10.mol2 | 2r9m | 0.903226 | -6.07 | C(=O)(N[C@H]1CC[N@H+](CC1)C)C | 11 |
| 2igy_ligand_4_645.mol2 | 2igy | 0.903226 | -5.63 | O=CN(C)[C@@H]1CC[N@@H+](CC)CC1 | 12 |
100 ,
11
