Basic information
- Standard SMILES
CCc1[nH]c(C(=O)N[C@H]2CCN(c3cccc(C(=O)OC)c3)C[C@H]2OC)nc1Cl- InChIKey
KAIYQJLREQHBED-JKSUJKDBSA-N- Molecular formula
- C20H25ClN4O4
- Average molar mass
- 420.9 g/mol
Names & identifiers
- Preferred name
- Methyl cis(+/-)-3-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)benzoate
- IUPAC
- methyl 3-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]benzoate
Names & synonyms
KAIYQJLREQHBED-JKSUJKDBSA-NMethyl cis(+/-)-3-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)benzoate
Database identifiers
- PubChem CID
- 86648707
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
Related reactions
2 records
Compound notes
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