N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
Formula:C21H22N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide |
| MolecularFormula | C21H22N3O3Cl |
| Smiles | O=C(C(N1CCCCC1)=O)N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C21H22ClN3O3/c22-18-8-4-17(5-9-18)15-28-19-10-6-16(7-11-19)14-23-24-20(26)21(27)25-12-2-1-3-13-25/h4-11,14H,1-3,12-13,15H2,(H,24,26) |
| InChIK | UKIOQTKWPHYKIW-UHFFFAOYSA-N |
| TotalMolweight | 399.877 |
| Molweight | 399.877 |
| MonoisotopicMass | 399.134969 |
| CLogP | 3.7888 |
| CLogS | -4.689 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.52 |
| Relative PSA | 0.20225 |
| PolarSurfaceArea | 71 |
| Druglikeness | 3.2408 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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1 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide | 2 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
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