Basic information
- Standard SMILES
CCN1CC[C@H](NC(=O)c2cc(Cl)c(N)cc2OC)[C@H](OC)C1.O- InChIKey
QHSPHOIXJWWUPO-NQQJLSKUSA-N- Molecular formula
- C16H26ClN3O4
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 359.161184
Names & identifiers
- Preferred name
- cis-4-amino-5-chloro-N-(1-ethyl-3-methoxy-4-piperidinyl)-2-methoxybenzamide monohydrate
- IUPAC
- 4-amino-5-chloro-N-[(3R,4S)-1-ethyl-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
Names & synonyms
SCHEMBL9721598QHSPHOIXJWWUPO-NQQJLSKUSA-Ncis-4-amino-5-chloro-N-(1-ethyl-3-methoxy-4-piperidinyl)-2-methoxybenzamide monohydrate
Database identifiers
- PubChem CID
- 67914529
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Related reactions
1 records
Compound notes
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