Basic information
- Standard SMILES
CC(C)NC(=O)N1C[C@@H](C)N(CCNC(=O)[C@@H]2CCCCN2c2nc3ccccc3o2)[C@@H](C)C1- InChIKey
JABJYHZFMCJJQK-ZVDOUQERSA-N- Molecular formula
- C25H38N6O3
- Average molar mass
- 470.6 g/mol
Names & identifiers
- Preferred name
- (cis)-4-[2-([(2S)-1-(1,3-benzoxazol-2-yl)-2-piperidinyl]carbonylamino)ethyl]-N1-isopropyl-3,5-dimethyl-1-piperazinecarboxamide
- IUPAC
- (3S,5R)-4-[2-[[(2S)-1-(1,3-benzoxazol-2-yl)piperidine-2-carbonyl]amino]ethyl]-3,5-dimethyl-N-propan-2-ylpiperazine-1-carboxamide
Names & synonyms
SCHEMBL6738098JABJYHZFMCJJQK-ZVDOUQERSA-N(cis)-4-[2-([(2S)-1-(1,3-benzoxazol-2-yl)-2-piperidinyl]carbonylamino)ethyl]-N1 -isopropyl-3,5-dimethyl-1-piperazinecarboxamide(cis)-4-[2-([(2S)-1-(1,3-benzoxazol-2-yl)-2-piperidinyl]carbonylamino)ethyl]-N1-isopropyl-3,5-dimethyl-1-piperazinecarboxamide
Database identifiers
- PubChem CID
- 9869349
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 694
Related reactions
3 records
Compound notes
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