rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-N-ethylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-N-ethylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-N-ethylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5470 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-N-ethylpyrrolidine-3-carboxamide |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C26 H35 F3 N4 O2 |
| Smiles: | CCC(C)(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1C(NCC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1323 |
| logD: | 4.1323 |
| logSw: | -4.2054 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.939 |
| InChI Key: | ZHWKWMBCZYCTIO-LEWJYISDSA-N |