1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S995-0686 |
| Compound Name: | 1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(phenoxymethyl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(Cc1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6223 |
| logD: | 2.6138 |
| logSw: | -2.3806 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.454 |
| InChI Key: | LDLRDTWCCPQBDS-UPVQGACJSA-N |