N-{1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-[(2-methylpropyl)amino]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-[(2-methylpropyl)amino]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-[(2-methylpropyl)amino]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V011-7089 |
| Compound Name: | N-{1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-[(2-methylpropyl)amino]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C25 H37 N3 O5 |
| Smiles: | CC(C)CNC(C(C1CCN(CC1)C(CC(C)(C)C)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5984 |
| logD: | 3.5984 |
| logSw: | -3.6907 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.197 |
| InChI Key: | ARQYXXIUNKGTLJ-QFIPXVFZSA-N |