Basic information
- Standard SMILES
COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(CN)cc1- InChIKey
WRVKOLXJWPJWMV-UHFFFAOYSA-N- Molecular formula
- C29H32FN3O3
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.24277005
Names & identifiers
- Preferred name
- 4-aminomethyl-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(2-methoxyphenyl)benzamide
- IUPAC
- 4-(aminomethyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)benzamide
Names & synonyms
SCHEMBL8710751WRVKOLXJWPJWMV-UHFFFAOYSA-NL0133614-aminomethyl-N-{2-[4-(4-fluorobenzoyl)piperidino]-ethyl}-N-(2-methoxyphenyl)benzamide4-aminomethyl-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(2-methoxyphenyl)benzamide
Database identifiers
- PubChem CID
- 19689859
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 698
Related reactions
4 records
Compound notes
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