N-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]-2-piperidin-1-ylacetamide
Formula:C13H18N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]-2-piperidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]-2-piperidin-1-ylacetamide |
| MolecularFormula | C13H18N4O3 |
| Smiles | O=C(CN1CCCCC1)NC(N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C13H18N4O3/c18-12(10-17-6-2-1-3-7-17)15-13(19)16-14-9-11-5-4-8-20-11/h4-5,8-9H,1-3,6-7,10H2,(H2,15,16,18,19) |
| InChIK | XMGRLYBRQYDKPB-UHFFFAOYSA-N |
| TotalMolweight | 278.311 |
| Molweight | 278.311 |
| MonoisotopicMass | 278.137891 |
| CLogP | 1.1587 |
| CLogS | -2.773 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 225.49 |
| Relative PSA | 0.34667 |
| PolarSurfaceArea | 86.94 |
| Druglikeness | 5.1284 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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