1-{4-[rel-(3R,4R)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0877 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C22 H33 N3 O5 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(c1ccc(nc1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2609 |
| logD: | 2.2609 |
| logSw: | -2.5734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.244 |
| InChI Key: | UPKCBPFLHRWITK-WMZOPIPTSA-N |