2-oxo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
Formula:C21H23N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-oxo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is a drug-like molecule.
| MolName | 2-oxo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide |
| MolecularFormula | C21H23N3O3 |
| Smiles | O=C(C(N1CCCCC1)=O)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C21H23N3O3/c25-20(21(26)24-13-7-2-8-14-24)23-22-15-18-11-5-6-12-19(18)27-16-17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2,(H,23,25) |
| InChIK | GLXTZUDEUKGORC-UHFFFAOYSA-N |
| TotalMolweight | 365.432 |
| Molweight | 365.432 |
| MonoisotopicMass | 365.173942 |
| CLogP | 3.1828 |
| CLogS | -3.953 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 294.1 |
| Relative PSA | 0.21285 |
| PolarSurfaceArea | 71 |
| Druglikeness | 3.2186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62963 |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
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