Ethyl 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidine-1-carboxylate
Basic information
- CAS
351003-35-5- Standard SMILES
CCOC(=O)N1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)C(OC)C1- InChIKey
VRLUWZOUAURBSK-UHFFFAOYSA-N- Molecular formula
- C17H24ClN3O5
- Average molar mass
- 385.8 g/mol
- Monoisotopic mass
- 385.1404486
Names & identifiers
- Preferred name
- Ethyl 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidine-1-carboxylate
- IUPAC
- ethyl 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidine-1-carboxylate
- English name
- CISAPRIDE BENZAMIDE CARBETHOXY
- Molecular formula
- C17H24ClN3O5
- Molecular weight
- 385.84
Names & synonyms
SCHEMBL6843940CISAPRIDE BENZAMIDE CARBETHOXY1-Piperidinecarboxylic acid, 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxy-, ethyl ester
Database identifiers
- CAS
351003-35-5- PubChem CID
- 3019428
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 520.4 · 520.4±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 12.95 · 12.95±0.40(Predicted)
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Compound notes
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