N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide
Formula:C23H25N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide |
| MolecularFormula | C23H25N4O3F |
| Smiles | O=C(C1(CCNCC1)NC(/C=C/c1cocc1)=O)NCCc1c[nH]c(cc2)c1cc2F |
| InChI | InChI=1S/C23H25FN4O3/c24-18-2-3-20-19(13-18)17(14-27-20)5-9-26-22(30)23(7-10-25-11-8-23)28-21(29)4-1-16-6-12-31-15-16/h1-4,6,12-15,25,27H,5,7-11H2,(H,26,30)(H,28,29) |
| InChIK | ZGBAYUCFENZHGX-UHFFFAOYSA-N |
| TotalMolweight | 424.475 |
| Molweight | 424.475 |
| MonoisotopicMass | 424.191069 |
| CLogP | 1.7743 |
| CLogS | -4.048 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 329.08 |
| Relative PSA | 0.26911 |
| PolarSurfaceArea | 99.16 |
| Druglikeness | 1.4908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide | 2 - N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide
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