N-[(2,4-difluorophenyl)methyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide
Formula:C23H22N3O3F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2,4-difluorophenyl)methyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(2,4-difluorophenyl)methyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide |
| MolecularFormula | C23H22N3O3F5 |
| Smiles | O=C(C1(CCNCC1)NC(/C=C/c1cc(OC(F)(F)F)ccc1)=O)NCc(ccc(F)c1)c1F |
| InChI | InChI=1S/C23H22F5N3O3/c24-17-6-5-16(19(25)13-17)14-30-21(33)22(8-10-29-11-9-22)31-20(32)7-4-15-2-1-3-18(12-15)34-23(26,27)28/h1-7,12-13,29H,8-11,14H2,(H,30,33)(H,31,32) |
| InChIK | UZNBSPBRBZNBFM-UHFFFAOYSA-N |
| TotalMolweight | 483.436 |
| Molweight | 483.436 |
| MonoisotopicMass | 483.158132 |
| CLogP | 3.3699 |
| CLogS | -5.09 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 347.27 |
| Relative PSA | 0.2029 |
| PolarSurfaceArea | 79.46 |
| Druglikeness | -4.9565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(2,4-difluorophenyl)methyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide | 2 - N-[(2,4-difluorophenyl)methyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide
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