rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~,N~3~,N~3~-trimethylpyrrolidine-1,3-dicarboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~,N~3~,N~3~-trimethylpyrrolidine-1,3-dicarboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~,N~3~,N~3~-trimethylpyrrolidine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S954-0427 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~,N~3~,N~3~-trimethylpyrrolidine-1,3-dicarboxamide |
| Molecular Weight: | 451.49 |
| Molecular Formula: | C22 H28 F3 N5 O2 |
| Smiles: | CNC(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(N(C)C)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.825 |
| logD: | 1.825 |
| logSw: | -2.7685 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.922 |
| InChI Key: | VFRJBDQZZZMDGR-MSOLQXFVSA-N |