| MolName | 4-(4-benzylpiperidin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide |
| MolecularFormula | C22H25N5O3 |
| Smiles | O=C(CCC(N1CCC(Cc2ccccc2)CC1)=O)Nc(cc1)nc(N2)c1NC2=O |
| InChI | InChI=1S/C22H25N5O3/c28-19(24-18-7-6-17-21(25-18)26-22(30)23-17)8-9-20(29)27-12-10-16(11-13-27)14-15-4-2-1-3-5-15/h1-7,16H,8-14H2,(H3,23,24,25,26,28,30) |
| InChIK | BEAXMWRIBCGOFU-UHFFFAOYSA-N |
| TotalMolweight | 407.473 |
| Molweight | 407.473 |
| MonoisotopicMass | 407.19574 |
| CLogP | 2.6538 |
| CLogS | -5.051 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 311.53 |
| Relative PSA | 0.28254 |
| PolarSurfaceArea | 103.43 |
| Druglikeness | 3.5573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(4-benzylpiperidin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide | 2 - 4-(4-benzylpiperidin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide