Basic information
- Standard SMILES
C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CCC)c3ccccc3)c2)C[C@H]1C- InChIKey
CQDPJHWJALGXFF-UALAUUDGSA-N- Molecular formula
- C32H39N3O2
- Average molar mass
- 497.7 g/mol
- Monoisotopic mass
- 497.3042275
Names & identifiers
- Preferred name
- (+)-3-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-phenyl-N-propylbenzamide
- IUPAC
- 3-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N-phenyl-N-propylbenzamide
Names & synonyms
CHEMBL158205SCHEMBL8930426CQDPJHWJALGXFF-UALAUUDGSA-NBDBM50123664(+)-3-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-phenyl-N-propylbenzamide3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-phenyl-N-propyl-benzamide
Database identifiers
- PubChem CID
- 11005571
- ChEMBL
CHEMBL158205
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 723
Related reactions
2 records
Compound notes
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