N-[rel-(1R,2R)-2-benzamidocyclohexyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[rel-(1R,2R)-2-benzamidocyclohexyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide
N-[rel-(1R,2R)-2-benzamidocyclohexyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | V010-5851 |
| Compound Name: | N-[rel-(1R,2R)-2-benzamidocyclohexyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C26 H30 N4 O5 |
| Smiles: | C1CC[C@H]([C@@H](C1)NC(C1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O)=O)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5125 |
| logD: | 2.5125 |
| logSw: | -2.8553 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.133 |
| InChI Key: | YTBQBBZOYGCSKS-GOTSBHOMSA-N |