1-[4-(2,2-dimethylpropanamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-[4-(2,2-dimethylpropanamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1)
1-[4-(2,2-dimethylpropanamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L441-0318 |
| Compound Name: | 1-[4-(2,2-dimethylpropanamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C21 H29 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)C(Nc1ccc(cc1)C(N1CCCC(C1)C(NCC=C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7732 |
| logD: | 1.7722 |
| logSw: | -2.2724 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.709 |
| InChI Key: | LOPMVZSBQIWNMD-INIZCTEOSA-N |