N-(1'-benzyl-4'-piperidyl-N-oxide)-4-amino-5-chloro-2-methoxybenzamide
Basic information
- CAS
71084-01-0- Standard SMILES
COc1cc(N)c(Cl)cc1C(=O)NC1CC[N+]([O-])(Cc2ccccc2)CC1- InChIKey
LEQPQOJEDKNJLX-UHFFFAOYSA-N- Molecular formula
- C20H24ClN3O3
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.1506193
Overview
metabolite of clebopride; structure given in first source
Names & identifiers
- Preferred name
- N-(1'-benzyl-4'-piperidyl-N-oxide)-4-amino-5-chloro-2-methoxybenzamide
- IUPAC
- 4-amino-N-(1-benzyl-1-oxidopiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide
- English name
- N-(1'-benzyl-4'-piperidyl-N-oxide)-4-amino-5-chloro-2-methoxybenzamide
- Molecular formula
- C20H24ClN3O3
- Molecular weight
- 389.88
Names & synonyms
N-(1'-Benzyl-4'-piperidyl-N-oxide)-4-amino-5-chloro-2-methoxybenzamide71084-01-0DTXSID50221304RefChem:161406DTXCID101437954-amino-N-(1-benzyl-1-oxidopiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamideSCHEMBL33621784-Amino-N-(1-benzyl-1-oxo-1lambda~5~-piperidin-4-yl)-5-chloro-2-methoxybenzamideBenzamide, 4-amino-5-chloro-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-, N-oxideBenzamide, 4-amino-5-chloro-2-methoxy-N-[1-oxido-1-(phenylmethyl)-4-piperidinyl]-
Database identifiers
- CAS
71084-01-0- PubChem CID
- 130396
- DTXSID
DTXSID50221304
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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