Molecular Identity
Remifentanil
methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID: 60815
Remifentanil is a piperidinecarboxylate ester that is methyl piperidine-4-carboxylate in which the hydrogen attached to the nitrogen is substituted by a 3-methoxy-3-oxopropyl group and the hydrogen at position 4 is substituted the nitrogen of N-propanoylaniline. It has a role as an opioid analgesic, a sedative, an intravenous anaesthetic and a mu-opioid receptor agonist. It is an anilide, a monocarboxylic acid amide, an alpha-amino acid ester and a piperidinecarboxylate ester.
2D Structure
Properties
C20H28N2O5
Molecular Formula
376.40
Molecular Weight
g/mol
376.1998
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
76.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
522
Complexity
SMILES
Canonical SMILES
SMILES: CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OCIsomeric SMILES
SMILES: CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OCSynonyms(20)
REMIFENTANILRemifentanyl132875-61-7ramifentanylGI 87084XUltiva-RemifentaniloIDS-NR-005P10582JYYK4-carboxy-4-(n-phenylpropionamido)-1-piperidinepropionic acid dimethyl estermethyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylateCHEBI:8802DTXSID001578261-Piperidinepropanoic acid, 4-(methoxy-carbonyl)-4-((1-oxopropyl)phenylamino)-, methyl ester4-(methoxycarbonyl)-4-((1-oxopropyl)phenylamino)-1-piperidinepropanoic acid methyl ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Remifentanil
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