N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
Formula:C21H25N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide is a drug-like molecule.
| MolName | N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide |
| MolecularFormula | C21H25N3O2 |
| Smiles | N/C(/c1ccccc1)=N/OCC(N1CCC(Cc2ccccc2)CC1)=O |
| InChI | InChI=1S/C21H25N3O2/c22-21(19-9-5-2-6-10-19)23-26-16-20(25)24-13-11-18(12-14-24)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2,(H2,22,23) |
| InChIK | FSKIFHSUSTZYDF-UHFFFAOYSA-N |
| TotalMolweight | 351.449 |
| Molweight | 351.449 |
| MonoisotopicMass | 351.194677 |
| CLogP | 3.766 |
| CLogS | -3.74 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.12 |
| Relative PSA | 0.18784 |
| PolarSurfaceArea | 67.92 |
| Druglikeness | 5.2032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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