N-{1-[1-(methoxyacetyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[1-(methoxyacetyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[1-(methoxyacetyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V014-9701 |
| Compound Name: | N-{1-[1-(methoxyacetyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C21 H27 N3 O6 |
| Smiles: | COCC(N1CCC(CC1)C(C(NCC=C)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5314 |
| logD: | 0.5314 |
| logSw: | -1.9514 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.462 |
| InChI Key: | LWVQMXNDCBJVGZ-IBGZPJMESA-N |