N-{1-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-[(butan-2-yl)amino]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-[(butan-2-yl)amino]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-[(butan-2-yl)amino]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V022-0042 |
| Compound Name: | N-{1-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-[(butan-2-yl)amino]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C27 H31 N3 O7 |
| Smiles: | CCC(C)NC(C(C1CCN(CC1)C(c1ccc2c(c1)OCO2)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0712 |
| logD: | 3.0712 |
| logSw: | -3.3004 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.009 |
| InChI Key: | MEZSJLYYIKRJHZ-UHFFFAOYSA-N |