C141H166ClF4N17O6 — CID 158105465
N-[[1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanamine;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide (PubChem CID 158105465) has the molecular formula C141H166ClF4N17O6 and a molecular weight of 2306.44 g/mol. Its IUPAC name is N-[[1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanamine;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide.
| Compound Name | N-[[1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanamine;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide |
|---|---|
| PubChem CID | 158105465 |
| Molecular Formula | C141H166ClF4N17O6 |
| Molecular Weight | 2306.44 g/mol |
| Exact Mass | 2304.28 |
| IUPAC Name | N-[[1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanamine;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide |
| SMILES | CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(Cl)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4cccc(F)c4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.COc1ccc(CCN2CCC(n3ccc4ccc(CNC(C)=O)cc43)CC2)cc1.NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.OCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1 |
| InChI | InChI=1S/C25H31N3O2.C24H28ClN3O.2C24H28FN3O.C22H26FN3.C22H25FN2O/c1-19(29)26-18-21-3-6-22-10-16-28(25(22)17-21)23-11-14-27(15-12-23)13-9-20-4-7-24(30-2)8-5-20;1-18(29)26-17-20-2-5-21-9-15-28(24(21)16-20)23-10-13-27(14-11-23)12-8-19-3-6-22(25)7-4-19;1-18(29)26-17-20-5-6-21-8-14-28(24(21)16-20)23-9-12-27(13-10-23)11-7-19-3-2-4-22(25)15-19;1-18(29)26-17-19-6-7-21-9-15-28(24(21)16-19)22-10-13-27(14-11-22)12-8-20-4-2-3-5-23(20)25;23-21-4-2-1-3-18(21)7-11-25-12-9-20(10-13-25)26-14-8-19-6-5-17(16-24)15-22(19)26;23-21-4-2-1-3-18(21)7-11-24-12-9-20(10-13-24)25-14-8-19-6-5-17(16-26)15-22(19)25/h3-8,10,16-17,23H,9,11-15,18H2,1-2H3,(H,26,29);2-7,9,15-16,23H,8,10-14,17H2,1H3,(H,26,29);2-6,8,14-16,23H,7,9-13,17H2,1H3,(H,26,29);2-7,9,15-16,22H,8,10-14,17H2,1H3,(H,26,29);1-6,8,14-15,20H,7,9-13,16,24H2;1-6,8,14-15,20,26H,7,9-13,16H2 |
| InChIKey | FPTSVVKDVULHQU-UHFFFAOYSA-N |
| XLogP | 25.84 |
| TPSA | 220.90 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2306.44 |
| LogP ≤ 5 | 25.84 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 19 |