N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | M778-0971 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]piperidine-4-carboxamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C26 H28 N4 O4 |
| Smiles: | Cc1cccc(c1C)Oc1cc(ncn1)N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4456 |
| logD: | 4.4456 |
| logSw: | -4.3519 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.228 |
| InChI Key: | QCDXAMRFIFDENZ-UHFFFAOYSA-N |