1-[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxamide
Formula:C20H21N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxamide |
| MolecularFormula | C20H21N3O4 |
| Smiles | NC(C(CC1)CCN1C(/C(/NC(c1ccccc1)=O)=C/c1ccco1)=O)=O |
| InChI | InChI=1S/C20H21N3O4/c21-18(24)14-8-10-23(11-9-14)20(26)17(13-16-7-4-12-27-16)22-19(25)15-5-2-1-3-6-15/h1-7,12-14H,8-11H2,(H2,21,24)(H,22,25) |
| InChIK | PKBBYCQJBVAKAY-UHFFFAOYSA-N |
| TotalMolweight | 367.404 |
| Molweight | 367.404 |
| MonoisotopicMass | 367.153207 |
| CLogP | 1.8985 |
| CLogS | -3.353 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 284.99 |
| Relative PSA | 0.29303 |
| PolarSurfaceArea | 105.64 |
| Druglikeness | 7.1182 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
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