3-[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile
3-[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S787-1333 |
| Compound Name: | 3-[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C27 H31 N3 O2 |
| Smiles: | C1CCN(C1)C(CCc1ccc(CC2CCN(CC2)C(c2cccc(C#N)c2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.891 |
| logD: | 3.891 |
| logSw: | -4.1614 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.158 |
| InChI Key: | MBBDBXCJRMIUEM-UHFFFAOYSA-N |