rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0179 |
| Compound Name: | rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 479.5 |
| Molecular Formula: | C23 H28 F3 N5 O3 |
| Smiles: | CC(NCC(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4864 |
| logD: | 0.4864 |
| logSw: | -2.4734 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.52 |
| InChI Key: | OAEZVKOKDZLOAH-MOPGFXCFSA-N |