N-benzyl-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-benzyl-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0590 |
| Compound Name: | N-benzyl-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C25 H33 N3 O3 |
| Smiles: | CC1CCN(CC1)C1=C(C(C1=O)=O)NCC1CCC(CC1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5829 |
| logD: | 3.5824 |
| logSw: | -3.6047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.464 |
| InChI Key: | XZIDCTJDRDCCCC-UHFFFAOYSA-N |