N-[(Z)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
Formula:C14H16N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide |
| MolecularFormula | C14H16N3O2Cl |
| Smiles | O=C(C(N1CCCCC1)=O)N/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C14H16ClN3O2/c15-12-6-4-5-11(9-12)10-16-17-13(19)14(20)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2,(H,17,19) |
| InChIK | QHCXGDFPPUBTKD-UHFFFAOYSA-N |
| TotalMolweight | 293.753 |
| Molweight | 293.753 |
| MonoisotopicMass | 293.093104 |
| CLogP | 2.4407 |
| CLogS | -3.348 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226 |
| Relative PSA | 0.23274 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 3.5522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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