rel-(3R,4R)-1-butanoyl-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-butanoyl-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-butanoyl-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0469 |
| Compound Name: | rel-(3R,4R)-1-butanoyl-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethylpyrrolidine-3-carboxamide |
| Molecular Weight: | 464.53 |
| Molecular Formula: | C24 H31 F3 N4 O2 |
| Smiles: | CCCC(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NCC)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.2295 |
| logD: | 3.2295 |
| logSw: | -3.377 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.412 |
| InChI Key: | ZOKBDHPQCGUYKQ-UXHICEINSA-N |