C104H116Br4Cl3FN8O7 — CID 157100490
1-[7-bromo-1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone (PubChem CID 157100490) has the molecular formula C104H116Br4Cl3FN8O7 and a molecular weight of 2035.09 g/mol. Its IUPAC name is 1-[7-bromo-1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone.
| Compound Name | 1-[7-bromo-1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone |
|---|---|
| PubChem CID | 157100490 |
| Molecular Formula | C104H116Br4Cl3FN8O7 |
| Molecular Weight | 2035.09 g/mol |
| Exact Mass | 2028.48 |
| IUPAC Name | 1-[7-bromo-1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2-methylindol-3-yl]ethanone;1-[7-bromo-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone |
| SMILES | CC(=O)c1c(C)n(CCCN2C3CCC2CC(CCc2ccc(Cl)cc2)C3)c2c(Br)cccc12.CC(=O)c1c(C)n(CCCN2CCCC(Oc3ccc(Cl)cc3)C2)c2c(Br)cccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(F)cc2)C3)c2c(Br)cccc12.CC(=O)c1cn(CCCN2CCCC(Oc3ccc(Cl)cc3)C2)c2c(Br)cccc12 |
| InChI | InChI=1S/C29H34BrClN2O.C26H28BrFN2O2.C25H28BrClN2O2.C24H26BrClN2O2/c1-19-28(20(2)34)26-5-3-6-27(30)29(26)32(19)15-4-16-33-24-13-14-25(33)18-22(17-24)8-7-21-9-11-23(31)12-10-21;1-17(31)24-16-29(26-23(24)4-2-5-25(26)27)12-3-13-30-19-8-9-20(30)15-22(14-19)32-21-10-6-18(28)7-11-21;1-17-24(18(2)30)22-7-3-8-23(26)25(22)29(17)15-5-14-28-13-4-6-21(16-28)31-20-11-9-19(27)10-12-20;1-17(29)22-16-28(24-21(22)6-2-7-23(24)25)14-4-13-27-12-3-5-20(15-27)30-19-10-8-18(26)9-11-19/h3,5-6,9-12,22,24-25H,4,7-8,13-18H2,1-2H3;2,4-7,10-11,16,19-20,22H,3,8-9,12-15H2,1H3;3,7-12,21H,4-6,13-16H2,1-2H3;2,6-11,16,20H,3-5,12-15H2,1H3 |
| InChIKey | AFSBGHMJIRDVHZ-UHFFFAOYSA-N |
| XLogP | 26.74 |
| TPSA | 128.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 127 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2035.09 |
| LogP ≤ 5 | 26.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |