rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(N,N-dimethylglycyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(N,N-dimethylglycyl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(N,N-dimethylglycyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5063 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(N,N-dimethylglycyl)piperidin-4-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 451.49 |
| Molecular Formula: | C22 H28 F3 N5 O2 |
| Smiles: | CN(C)CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8587 |
| logD: | 0.3952 |
| logSw: | -2.4739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.047 |
| InChI Key: | YMPBIDZOPRVSPB-ZWKOTPCHSA-N |