rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5149 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 491.51 |
| Molecular Formula: | C24 H28 F3 N5 O3 |
| Smiles: | C1CC(N(C1)CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4636 |
| logD: | 0.4636 |
| logSw: | -2.4515 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.422 |
| InChI Key: | LRKGSXVFYROJGT-RBUKOAKNSA-N |