(2H-1,3-benzodioxol-5-yl){4-[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | D573-0169 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C22 H27 N5 O3 |
| Smiles: | Cc1cc(nc(n1)N1CCCCC1)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7109 |
| logD: | 3.6785 |
| logSw: | -3.7632 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.483 |
| InChI Key: | TUPWBRCCXMBXPB-UHFFFAOYSA-N |