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 |
|---|---|---|---|---|
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00026 | propanamide |
|
CCC(=O)N | 0.0148 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00663 | 1-methylpiperidine |
|
CN1CCCCC1 | 0.0172 |
| FDBF00670 | piperidine |
|
N1CCCCC1 | 0.0199 |
| FDBF01358 | N-(4-piperidyl)formamide |
|
O=CNC1CCNCC1 | 0.0027 |
| FDBF01648 | N-phenylpropanamide |
|
c1(ccccc1)NC(=O)CC | 0.0024 |
