N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]cyclopropanecarboxamide
Formula:C16H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C16H21N3O |
| Smiles | O=C(C1CC1)N/N=C\c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C16H21N3O/c20-16(14-6-7-14)18-17-12-13-4-8-15(9-5-13)19-10-2-1-3-11-19/h4-5,8-9,12,14H,1-3,6-7,10-11H2,(H,18,20) |
| InChIK | XTTCIHXSQKYZJF-UHFFFAOYSA-N |
| TotalMolweight | 271.363 |
| Molweight | 271.363 |
| MonoisotopicMass | 271.168462 |
| CLogP | 2.9089 |
| CLogS | -4.059 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 219.35 |
| Relative PSA | 0.18035 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 5.5455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]cyclopropanecarboxamide | 2 - N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]cyclopropanecarboxamide
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