Basic information
- Standard SMILES
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCCN1c1nc2ccccc2o1- InChIKey
JRLIAYYZWGPBRQ-CTNGQTDRSA-N- Molecular formula
- C24H28N4O2
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- (2S)-1-(1,3-benzoxazol-2-yl)-N2-[(3R)-1-benzylpyrrolidin-3-yl]-2-piperidinecarboxamide
- IUPAC
- (2S)-1-(1,3-benzoxazol-2-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]piperidine-2-carboxamide
Names & synonyms
SCHEMBL6978779JRLIAYYZWGPBRQ-CTNGQTDRSA-N(2S)-1-(1,3-benzoxazol-2-yl)-N2-[(3R)-1-benzylpyrrolidin-3-yl]-2-piperidinecarboxamide
Database identifiers
- PubChem CID
- 57172017
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 582
Related reactions
3 records
Compound notes
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