Basic information
- Standard SMILES
CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(C)C)CC1- InChIKey
TVDNHIQEEQTKMU-HKBQPEDESA-N- Molecular formula
- C32H47N3O2
- Average molar mass
- 505.7 g/mol
Names & identifiers
- Preferred name
- (S)-1-{4-[(4-Benzyloxy-phenyl)-(3-methyl-but-2-enyl)-amino]-piperidin-1-yl}-2-isopropylamino-4-methyl-pentan-1-one
- IUPAC
- (2S)-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]piperidin-1-yl]-2-(propan-2-ylamino)pentan-1-one
Names & synonyms
CHEMBL132914(S)-1-{4-[(4-Benzyloxy-phenyl)-(3-methyl-but-2-enyl)-amino]-piperidin-1-yl}-2-isopropylamino-4-methyl-pentan-1-oneSCHEMBL7039549TVDNHIQEEQTKMU-HKBQPEDESA-NBDBM50081685(S)-1-{-4-[(4-Benzyloxy-phenyl)-(3-methyl-but-2-enyl)-amino]-piperidin-1-yl}-2-isopropylamino-4-methyl-pentan-1-one
Database identifiers
- PubChem CID
- 10696911
- ChEMBL
CHEMBL132914- Nikkaji
- J1.206.114E
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 680
Related reactions
2 records
Compound notes
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