1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0735 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2917 |
| logD: | 2.2917 |
| logSw: | -2.0327 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.981 |
| InChI Key: | PTQVJFPSLOXRHZ-GMAHTHKFSA-N |