3-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
Formula:C20H26N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is a drug-like molecule.
| MolName | 3-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one |
| MolecularFormula | C20H26N2O3S |
| Smiles | O=C(/C=C/c1cccs1)N(CC1)CCC1N(CC1(CCCCC1)O1)C1=O |
| InChI | InChI=1S/C20H26N2O3S/c23-18(7-6-17-5-4-14-26-17)21-12-8-16(9-13-21)22-15-20(25-19(22)24)10-2-1-3-11-20/h4-7,14,16H,1-3,8-13,15H2 |
| InChIK | GBOOCUZSZVQYQJ-UHFFFAOYSA-N |
| TotalMolweight | 374.503 |
| Molweight | 374.503 |
| MonoisotopicMass | 374.166413 |
| CLogP | 3.3998 |
| CLogS | -3.952 |
| H Acceptors | 5 |
| TotalSurfaceArea | 281.81 |
| Relative PSA | 0.22547 |
| PolarSurfaceArea | 78.09 |
| Druglikeness | -3.8826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 3-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one | 2 - 3-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
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