N-butyl-1-[4-(4-methylbenzamido)benzoyl]piperidine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-1-[4-(4-methylbenzamido)benzoyl]piperidine-3-carboxamide--trifluoroacetic acid (1/1)
N-butyl-1-[4-(4-methylbenzamido)benzoyl]piperidine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L441-0526 |
| Compound Name: | N-butyl-1-[4-(4-methylbenzamido)benzoyl]piperidine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 535.56 |
| Molecular Formula: | C25 H31 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(C1CCCN(C1)C(c1ccc(cc1)NC(c1ccc(C)cc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5033 |
| logD: | 3.4903 |
| logSw: | -3.4388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.438 |
| InChI Key: | AMJKJPWYTGCSJL-NRFANRHFSA-N |