1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0078 |
| Compound Name: | 1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(c1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1537 |
| logD: | 2.1536 |
| logSw: | -1.9487 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.981 |
| InChI Key: | DMIGYOQNLQBEQO-FYYLOGMGSA-N |