Basic information
- CAS
1607-68-7- Standard SMILES
CC(=O)N(c1ccccc1)C1CCNCC1- InChIKey
CYTIQZKDSHKYGB-UHFFFAOYSA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.1419132
Overview
Acetyl norfentanyl is a monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenylpiperidin-4-amine with acetic acid. It is a metabolite of acetylfentanyl. It has a role as a drug metabolite. It is an anilide, a member of acetamides and a monocarboxylic acid amide.
Names & identifiers
- Preferred name
- N-(4-Piperidinyl)phenylacetamide
- IUPAC
- N-phenyl-N-piperidin-4-ylacetamide
- English name
- N-phenyl-N-4-piperidinylacetamide
- Molecular formula
- C13H18N2O
- Molecular weight
- 218.29
Names & synonyms
N-Phenyl-N-4-piperidinylacetamide1607-68-7N-(4-piperidinyl)phenylacetamideDTXSID40166972RefChem:1091326DTXCID7089463216-532-3n-phenyl-n-(piperidin-4-yl)acetamideN-phenyl-N-piperidin-4-ylacetamideAcetyl norfentanylMLS0026938894-(N-Phenylacetamido)piperidine
Show more names
N-Phenyl-N-4-PiperidAcetamide, N-phenyl-N-4-piperidinyl-N-Phenyl-N-4-piperidinyl-acetamide HCl
NSC-74308Acetyl norfentanyl-d5 (hydrochloride)acetylnorfentanylNSC74308EINECS 216-532-3C7RP4BKQ2QAcetanilide, N-4-piperidyl-SCHEMBL6160130
Database identifiers
- CAS
1607-68-7- PubChem CID
- 74156
- DTXSID
DTXSID40166972- ChEMBL
CHEMBL2137667- ChEBI
CHEBI:189127- UNII
- C7RP4BKQ2Q
- EC Number
- 216-532-3
- Nikkaji
- J195.228E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related
Physicochemical properties
- Melting point
- 129 · 129-130 °C
- Boiling point
- 345.6 · 345.6±35.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.10(Predicted)
- FDA UNII
- 7 RP4BKQ2Q · C7RP4BKQ2Q
Chemistry & industry
Additional notes
DefinitionChEBI: Acetyl norfentanyl is a member of acetamides and an anilide.
Related reactions
6 records
Compound notes
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