| MolName | 4-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide |
| MolecularFormula | C26H33N3O3 |
| Smiles | CC(CC1)CCN1c(ccc(NC(c(cc1)ccc1OC)=O)c1)c1C(N1CCCCC1)=O |
| InChI | InChI=1S/C26H33N3O3/c1-19-12-16-28(17-13-19)24-11-8-21(18-23(24)26(31)29-14-4-3-5-15-29)27-25(30)20-6-9-22(32-2)10-7-20/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,27,30) |
| InChIK | KQPLMNSQQGGEEV-UHFFFAOYSA-N |
| TotalMolweight | 435.566 |
| Molweight | 435.566 |
| MonoisotopicMass | 435.252192 |
| CLogP | 4.6777 |
| CLogS | -4.897 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 344.44 |
| Relative PSA | 0.15863 |
| PolarSurfaceArea | 61.88 |
| Druglikeness | 3.3214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide | 2 - 4-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide