2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S995-0368 |
| Compound Name: | 2-methyl-1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 435.57 |
| Molecular Formula: | C26 H33 N3 O3 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.092 |
| logD: | 3.0919 |
| logSw: | -2.8527 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.513 |
| InChI Key: | KYBWYCNDTLAGAT-UPVQGACJSA-N |