1-[4-(2,2-dimethylpropanamido)benzoyl]-N-(propan-2-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-[4-(2,2-dimethylpropanamido)benzoyl]-N-(propan-2-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
1-[4-(2,2-dimethylpropanamido)benzoyl]-N-(propan-2-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L442-0076 |
| Compound Name: | 1-[4-(2,2-dimethylpropanamido)benzoyl]-N-(propan-2-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 487.52 |
| Molecular Formula: | C21 H31 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(C1CCN(CC1)C(c1ccc(cc1)NC(C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8822 |
| logD: | 1.8812 |
| logSw: | -2.436 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.909 |
| InChI Key: | GLMSMYVWFXSKAK-UHFFFAOYSA-N |