rel-(5R,6R)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one
Chemical Structure Depiction of
rel-(5R,6R)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one
rel-(5R,6R)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one
Compound characteristics
| Compound ID: | SB13-0201 |
| Compound Name: | rel-(5R,6R)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one |
| Molecular Weight: | 448.61 |
| Molecular Formula: | C27 H36 N4 O2 |
| Smiles: | CC(C)CN1C(CC[C@@H](C(N2CCN(CC2)c2cccc(C)c2C)=O)[C@@H]1c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0586 |
| logD: | 4.0585 |
| logSw: | -4.2159 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.598 |
| InChI Key: | UOQZPURMFLVNAR-ZEQKJWHPSA-N |