IUPAC name
ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
SMILES
CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1
Compound class
Analgesics; Analgesics, Opioid; Narcotics; Adjuvants, Anesthesia; Adjuvants; Nervous System; Opioids; Phenylpiperidine Derivatives; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
Used to control moderate to severe pain.
Common name
Pethidine
IUPAC name
ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
SMILES
CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1
INCHI
InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
FORMULA
C15H21NO2
Common name
Pethidine
IUPAC name
ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
Molecular weight
247.333
clogP
2.836
clogS
-3.228
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
29.54
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00663 | 1-methylpiperidine |
|
CN1CCCCC1 | 0.0172 |
| FDBF00997 | 1-methyl-4-phenyl-piperidine |
|
c1(ccccc1)C2CCN(CC2)C | 0.0010 |
| FDBF00998 | ethyl 1-methylpiperidine-4-carboxylate |
|
N1(CCC(CC1)C(=O)OCC)C | 0.0010 |
5 ,
1
