N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
Chemical Structure Depiction of
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
Compound characteristics
| Compound ID: | T002-4915 |
| Compound Name: | N-{[1-(but-2-ynoyl)piperidin-4-yl]methyl}-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | CC#CC(N1CCC(CC1)CNC(CCCc1nc(c2ccc(C)cc2)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4041 |
| logD: | 3.4041 |
| logSw: | -3.534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.174 |
| InChI Key: | BHUYEGBKWDUOJR-UHFFFAOYSA-N |