2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide
Compound characteristics
| Compound ID: | E522-0101 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indole-3-carboxamide |
| Molecular Weight: | 560.69 |
| Molecular Formula: | C32 H40 N4 O5 |
| Smiles: | CC1CC(C)CN(CCCNC(C2(C)Cn3c(cc4ccc(cc34)OC)C(N2Cc2ccc3c(c2)OCO3)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0304 |
| logD: | 2.4255 |
| logSw: | -4.8267 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.362 |
| InChI Key: | MZUZKIUPPMKQBW-UHFFFAOYSA-N |