rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-ethylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-ethylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-ethylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5457 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-ethylpyrrolidine-3-carboxamide |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C26 H35 F3 N4 O2 |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)C(CC(C)(C)C)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9337 |
| logD: | 3.9337 |
| logSw: | -3.965 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.412 |
| InChI Key: | RZNKOYGHWQSTEQ-LEWJYISDSA-N |