rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,2-dimethylpropanoyl)-N-ethylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,2-dimethylpropanoyl)-N-ethylpyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,2-dimethylpropanoyl)-N-ethylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0479 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,2-dimethylpropanoyl)-N-ethylpyrrolidine-3-carboxamide |
| Molecular Weight: | 478.56 |
| Molecular Formula: | C25 H33 F3 N4 O2 |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(C(C)(C)C)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.5268 |
| logD: | 3.5268 |
| logSw: | -3.6856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.939 |
| InChI Key: | MCPUROQUJBNEAW-UXHICEINSA-N |