1-{4-[rel-(3R,4R)-1-(1-methyl-1H-pyrazole-3-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(1-methyl-1H-pyrazole-3-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-(1-methyl-1H-pyrazole-3-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-1061 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(1-methyl-1H-pyrazole-3-carbonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(c1ccn(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0937 |
| logD: | 2.0937 |
| logSw: | -2.3193 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.155 |
| InChI Key: | DNWSSECGBSHYPD-FPOVZHCZSA-N |