Basic information
- Standard SMILES
CCO[C@@H]1CN(C(=O)C(=O)c2ccccc2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1- InChIKey
CAOWFFNPLGGPIG-JKSUJKDBSA-N- Molecular formula
- C21H25ClN4O4
- Average molar mass
- 432.9 g/mol
Names & identifiers
- Preferred name
- cis(+/-)-4-Chloro-N-{3-ethoxy-1-[oxo(phenyl)acetyl]piperidin-4-yl}-5-ethyl-1H-imidazole-2-carboxamide
- IUPAC
- 4-chloro-N-[(3R,4S)-3-ethoxy-1-(2-oxo-2-phenylacetyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide
Names & synonyms
CAOWFFNPLGGPIG-JKSUJKDBSA-Ncis(+/-)-4-Chloro-N-{3-ethoxy-1-[oxo(phenyl) acetyl]piperidin-4-yl}-5-ethyl-1H-imidazole-2-carboxamidecis(+/-)-4-Chloro-N-{3-ethoxy-1-[oxo(phenyl)acetyl]piperidin-4-yl}-5-ethyl-1H-imidazole-2-carboxamide
Database identifiers
- PubChem CID
- 86648679
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 628
Related reactions
2 records
Compound notes
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