N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | S471-1227 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide |
| Molecular Weight: | 422.41 |
| Molecular Formula: | C20 H21 F3 N4 O3 |
| Smiles: | Cc1nc(cc(n1)N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.2546 |
| logD: | 3.2546 |
| logSw: | -3.2107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.867 |
| InChI Key: | DQAPFMACDVZEOP-UHFFFAOYSA-N |