IUPAC name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILES
CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
Compound class
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;
Therapeutic area
For the treatment of cancer patients with severe pain that breaks through their regular narcotic therapy.
Common name
Fentanyl
IUPAC name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILES
CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
INCHI
InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
FORMULA
C22H28N2O
Common name
Fentanyl
IUPAC name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Molecular weight
336.471
clogP
3.854
clogS
-4.750
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
23.55
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00671 | 1-ethylpiperidine |
|
N1(CCCCC1)CC | 0.0106 |
| FDBF01359 | N-(1-methyl-4-piperidyl)formamide |
|
O=CNC1CCN(CC1)C | 0.0027 |
| FDBF01366 | N-(1-ethyl-4-piperidyl)formamide |
|
CCN1CCC(CC1)NC=O | 0.0024 |
| FDBF01645 | N-phenyl-N-(4-piperidyl)formamide |
|
c1(ccccc1)N(C2CCNCC2)C=O | 0.0014 |
| FDBF01647 | N-(4-piperidyl)propanamide |
|
N1CCC(CC1)NC(=O)CC | 0.0014 |
| FDBF01651 | N-(1-methyl-4-piperidyl)-N-phenyl-formamide |
|
c1(ccccc1)N(C2CCN(CC2)C)C=O | 0.0014 |
| FDBF01653 | N-(1-methyl-4-piperidyl)propanamide |
|
CN1CCC(CC1)NC(=O)CC | 0.0014 |
| FDBF01663 | N-(1-ethyl-4-piperidyl)propanamide |
|
C(C)C(=O)NC1CCN(CC1)CC | 0.0014 |
