C109H129FIN11O17S — CID 161213997
1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 161213997) has the molecular formula C109H129FIN11O17S and a molecular weight of 2043.26 g/mol. Its IUPAC name is 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide.
| Compound Name | 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide |
|---|---|
| PubChem CID | 161213997 |
| Molecular Formula | C109H129FIN11O17S |
| Molecular Weight | 2043.26 g/mol |
| Exact Mass | 2041.83 |
| IUPAC Name | 1-acetyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide;1-acetyl-N-(3-ethylphenyl)piperidine-4-carboxamide;1-[4-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetyl]piperidin-1-yl]propan-1-one;2-(4-fluorophenyl)-1-[1-(furan-2-carbonyl)piperidin-4-yl]ethanone;1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(4-iodophenyl)ethanone;N-[4-[2-oxo-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]phenyl]acetamide |
| SMILES | CC(=O)Nc1ccc(CC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.CCC(=O)N1CCC(C(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CC1.CCc1cccc(NC(=O)C2CCN(C(C)=O)CC2)c1.COc1ccc(OC)c(NC(=O)C2CCN(C(C)=O)CC2)c1.O=C(Cc1ccc(F)cc1)C1CCN(C(=O)c2ccco2)CC1.O=C(Cc1ccc(I)cc1)C1CCN(C(=O)c2ccco2)CC1 |
| InChI | InChI=1S/C21H27N3O2.C20H22N2O3S.C18H18FNO3.C18H18INO3.C16H22N2O4.C16H22N2O2/c1-4-21(26)23-11-9-18(10-12-23)20(25)14-17-5-7-19(8-6-17)24-16(3)13-15(2)22-24;1-14(23)21-17-6-4-15(5-7-17)13-18(24)16-8-10-22(11-9-16)20(25)19-3-2-12-26-19;2*19-15-5-3-13(4-6-15)12-16(21)14-7-9-20(10-8-14)18(22)17-2-1-11-23-17;1-11(19)18-8-6-12(7-9-18)16(20)17-14-10-13(21-2)4-5-15(14)22-3;1-3-13-5-4-6-15(11-13)17-16(20)14-7-9-18(10-8-14)12(2)19/h5-8,13,18H,4,9-12,14H2,1-3H3;2-7,12,16H,8-11,13H2,1H3,(H,21,23);2*1-6,11,14H,7-10,12H2;4-5,10,12H,6-9H2,1-3H3,(H,17,20);4-6,11,14H,3,7-10H2,1-2H3,(H,17,20) |
| InChIKey | UWPPEIUKJISYDC-UHFFFAOYSA-N |
| XLogP | 17.60 |
| TPSA | 340.00 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 140 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2043.26 |
| LogP ≤ 5 | 17.60 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|