N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]benzamide
Formula:C21H23N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H23N3O3 |
| Smiles | O=C(COc1ccc(/C=N\NC(c2ccccc2)=O)cc1)N1CCCCC1 |
| InChI | InChI=1S/C21H23N3O3/c25-20(24-13-5-2-6-14-24)16-27-19-11-9-17(10-12-19)15-22-23-21(26)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,23,26) |
| InChIK | SBOBLCAYMSEWPV-UHFFFAOYSA-N |
| TotalMolweight | 365.432 |
| Molweight | 365.432 |
| MonoisotopicMass | 365.173942 |
| CLogP | 3.6148 |
| CLogS | -4.1 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 294.1 |
| Relative PSA | 0.21285 |
| PolarSurfaceArea | 71 |
| Druglikeness | 4.6105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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