rel-(5R,6R)-5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one
Chemical Structure Depiction of
rel-(5R,6R)-5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one
rel-(5R,6R)-5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one
Compound characteristics
| Compound ID: | SB13-0303 |
| Compound Name: | rel-(5R,6R)-5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C24 H29 N3 O2 |
| Smiles: | CC(C)CN1C(CC[C@@H](C(N2CCc3ccccc3C2)=O)[C@@H]1c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.181 |
| logD: | 3.181 |
| logSw: | -3.307 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.3 |
| InChI Key: | JCCJQNPZNWIDKK-FYYLOGMGSA-N |