N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide
Formula:C25H26N4O4ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide is not a drug-like molecule.
| MolName | N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide |
| MolecularFormula | C25H26N4O4ClF3 |
| Smiles | O=C(C1(CCNCC1)NC(/C=C/c1cc(OC(F)(F)F)ccc1)=O)NCCNC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C25H26ClF3N4O4/c26-19-7-5-18(6-8-19)22(35)31-14-15-32-23(36)24(10-12-30-13-11-24)33-21(34)9-4-17-2-1-3-20(16-17)37-25(27,28)29/h1-9,16,30H,10-15H2,(H,31,35)(H,32,36)(H,33,34) |
| InChIK | VRBHWPLPECGZNU-UHFFFAOYSA-N |
| TotalMolweight | 538.952 |
| Molweight | 538.952 |
| MonoisotopicMass | 538.159467 |
| CLogP | 3.29 |
| CLogS | -5.112 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 392.96 |
| Relative PSA | 0.24165 |
| PolarSurfaceArea | 108.56 |
| Druglikeness | -4.1685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide | 2 - N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide
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