1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-4-carboxamide
Formula:C15H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-4-carboxamide |
| MolecularFormula | C15H19N3O3 |
| Smiles | NC(C1CCN(C/C=C/c(cccc2)c2[N+]([O-])=O)CC1)=O |
| InChI | InChI=1S/C15H19N3O3/c16-15(19)13-7-10-17(11-8-13)9-3-5-12-4-1-2-6-14(12)18(20)21/h1-6,13H,7-11H2,(H2,16,19) |
| InChIK | FUISRMQQWUOIIV-UHFFFAOYSA-N |
| TotalMolweight | 289.334 |
| Molweight | 289.334 |
| MonoisotopicMass | 289.142642 |
| CLogP | -0.0762 |
| CLogS | -2.774 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 227.8 |
| Relative PSA | 0.2734 |
| PolarSurfaceArea | 92.15 |
| Druglikeness | 1.8115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-4-carboxamide | 2 - 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-4-carboxamide
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