C160H191F7N18O24 — CID 160705954
2-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N,N-bis(2-hydroxyethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N,N-dimethylacetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-1-(4-hydroxypiperidin-1-yl)ethanone;oxalic acid (PubChem CID 160705954) has the molecular formula C160H191F7N18O24 and a molecular weight of 2883.38 g/mol. Its IUPAC name is 2-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N,N-bis(2-hydroxyethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N,N-dimethylacetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-1-(4-hydroxypiperidin-1-yl)ethanone;oxalic acid.
| Compound Name | 2-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N,N-bis(2-hydroxyethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N,N-dimethylacetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-1-(4-hydroxypiperidin-1-yl)ethanone;oxalic acid |
|---|---|
| PubChem CID | 160705954 |
| Molecular Formula | C160H191F7N18O24 |
| Molecular Weight | 2883.38 g/mol |
| Exact Mass | 2881.42 |
| IUPAC Name | 2-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(1,3-dihydroxypropan-2-yl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N,N-bis(2-hydroxyethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N,N-dimethylacetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-1-(4-hydroxypiperidin-1-yl)ethanone;oxalic acid |
| SMILES | CN(C)C(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.NC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4F)CC3)c2c1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)N(CCO)CCO.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)N1CCC(O)CC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NC(CO)CO.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCO.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O |
| InChI | InChI=1S/C28H34FN3O2.C27H34FN3O3.C26H32FN3O3.C25H30FN3O2.C25H30FN3O.C23H25F2N3O.3C2H2O4/c29-24-5-2-21(3-6-24)7-13-30-14-9-25(10-15-30)32-18-8-23-4-1-22(19-27(23)32)20-28(34)31-16-11-26(33)12-17-31;28-24-5-2-21(3-6-24)7-11-29-12-9-25(10-13-29)31-14-8-23-4-1-22(19-26(23)31)20-27(34)30(15-17-32)16-18-33;27-22-5-2-19(3-6-22)7-11-29-12-9-24(10-13-29)30-14-8-21-4-1-20(15-25(21)30)16-26(33)28-23(17-31)18-32;26-22-5-2-19(3-6-22)7-12-28-13-9-23(10-14-28)29-15-8-21-4-1-20(17-24(21)29)18-25(31)27-11-16-30;1-27(2)25(30)18-20-3-6-21-10-16-29(24(21)17-20)23-11-14-28(15-12-23)13-9-19-4-7-22(26)8-5-19;24-19-4-3-17(21(25)15-19)5-9-27-10-7-20(8-11-27)28-12-6-18-2-1-16(13-22(18)28)14-23(26)29;3*3-1(4)2(5)6/h1-6,8,18-19,25-26,33H,7,9-17,20H2;1-6,8,14,19,25,32-33H,7,9-13,15-18,20H2;1-6,8,14-15,23-24,31-32H,7,9-13,16-18H2,(H,28,33);1-6,8,15,17,23,30H,7,9-14,16,18H2,(H,27,31);3-8,10,16-17,23H,9,11-15,18H2,1-2H3;1-4,6,12-13,15,20H,5,7-11,14H2,(H2,26,29);3*(H,3,4)(H,5,6) |
| InChIKey | FNFQFJHNEXUFGW-UHFFFAOYSA-N |
| XLogP | 18.77 |
| TPSA | 556.42 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 209 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2883.38 |
| LogP ≤ 5 | 18.77 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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