2-[(3R)-1-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione
Formula:C14H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3R)-1-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(3R)-1-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione |
| MolecularFormula | C14H14N2O3 |
| Smiles | CN(CCC[C@H]1N(C(c2c3cccc2)=O)C3=O)C1=O |
| InChI | InChI=1S/C14H14N2O3/c1-15-8-4-7-11(14(15)19)16-12(17)9-5-2-3-6-10(9)13(16)18/h2-3,5-6,11H,4,7-8H2,1H3/t11-/m1/s1 |
| InChIK | GAHOJARRTJDDDU-LLVKDONJSA-N |
| TotalMolweight | 258.276 |
| Molweight | 258.276 |
| MonoisotopicMass | 258.100443 |
| CLogP | 0.9285 |
| CLogS | -1.794 |
| H Acceptors | 5 |
| TotalSurfaceArea | 186.15 |
| Relative PSA | 0.24829 |
| PolarSurfaceArea | 57.69 |
| Druglikeness | 6.228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon | this enantiomer |
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1 - 2-[(3R)-1-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione | 2 - 2-[(3R)-1-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione
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