1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0107 |
| Compound Name: | 1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C25 H34 N4 O3 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(c1c(C)nn(C)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9608 |
| logD: | 1.9607 |
| logSw: | -2.1476 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.303 |
| InChI Key: | MMLBOMYLTBANQZ-FYYLOGMGSA-N |