1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-(pyridin-4-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-(pyridin-4-yl)ethan-1-one
1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-(pyridin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S995-0049 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-acetyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-(pyridin-4-yl)ethan-1-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(Cc1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.369 |
| logD: | 2.3564 |
| logSw: | -2.1603 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.364 |
| InChI Key: | CRVUDZXTOYGYGX-ISKFKSNPSA-N |