N-{1-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-[(butan-2-yl)amino]-2-oxoethyl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{1-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-[(butan-2-yl)amino]-2-oxoethyl}-4-methoxybenzamide
N-{1-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-[(butan-2-yl)amino]-2-oxoethyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | V019-0449 |
| Compound Name: | N-{1-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-[(butan-2-yl)amino]-2-oxoethyl}-4-methoxybenzamide |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C27 H33 N3 O6 |
| Smiles: | CCC(C)NC(C(C1CCN(CC1)C(c1ccc2c(c1)OCO2)=O)NC(c1ccc(cc1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1312 |
| logD: | 3.1312 |
| logSw: | -3.3332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.438 |
| InChI Key: | KIFLFWGFJDHFLJ-UHFFFAOYSA-N |