1-[4-(4-methylbenzamido)benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-[4-(4-methylbenzamido)benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
1-[4-(4-methylbenzamido)benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L442-0439 |
| Compound Name: | 1-[4-(4-methylbenzamido)benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 535.56 |
| Molecular Formula: | C25 H31 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(C)CNC(C1CCN(CC1)C(c1ccc(cc1)NC(c1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2711 |
| logD: | 3.2581 |
| logSw: | -3.3007 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.663 |
| InChI Key: | VSCMNAADTVYXFG-UHFFFAOYSA-N |