IUPAC name
methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate
SMILES
CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC
Compound class
Hypnotics and Sedatives; Anesthetics, Intravenous; Analgesics, Opioid; Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics;
Therapeutic area
For use during the induction and maintenance of general anesthesia.
Common name
Remifentanil
IUPAC name
methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate
SMILES
CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC
INCHI
InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3
FORMULA
C20H28N2O5
Common name
Remifentanil
IUPAC name
methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate
Molecular weight
376.447
clogP
2.221
clogS
-3.335
HBond Acceptor
6
HBond Donor
0
Total Polar Surface Area
76.15
Number of Rings
2
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00101 | methyl acetate |
|
O(C(=O)C)C | 0.0151 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00671 | 1-ethylpiperidine |
|
N1(CCCCC1)CC | 0.0106 |
| 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 |
| FDBF01663 | N-(1-ethyl-4-piperidyl)propanamide |
|
C(C)C(=O)NC1CCN(CC1)CC | 0.0014 |
21 ,
3
