C147H183ClF3N13O12 — CID 158927298
1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-benzylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one;1-[6-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone (PubChem CID 158927298) has the molecular formula C147H183ClF3N13O12 and a molecular weight of 2416.61 g/mol. Its IUPAC name is 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-benzylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one;1-[6-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone.
| Compound Name | 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-benzylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one;1-[6-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone |
|---|---|
| PubChem CID | 158927298 |
| Molecular Formula | C147H183ClF3N13O12 |
| Molecular Weight | 2416.61 g/mol |
| Exact Mass | 2414.37 |
| IUPAC Name | 1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-benzylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one;1-[6-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone |
| SMILES | CC(=O)CCc1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CC(=O)c1cn(CC(C)CN2CCC(Cc3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CC(O)CN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12.CCCOC1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.COc1ccc2c(C(C)=O)cn(CCCN3CCN(C(C)c4ccccc4)CC3)c2c1.O=C(c1cn(CCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12)C(F)(F)F |
| InChI | InChI=1S/C26H33N3O2.C26H36N2O2.C26H32N2O.C25H27F3N2O2.C24H27ClN2O3.C20H28N2O2/c1-20(22-8-5-4-6-9-22)28-16-14-27(15-17-28)12-7-13-29-19-25(21(2)30)24-11-10-23(31-3)18-26(24)29;1-19(29)7-10-21-17-27(26-6-3-2-5-25(21)26)13-4-14-28-22-11-12-23(28)16-24(15-22)30-18-20-8-9-20;1-20(18-28-19-25(21(2)29)24-10-6-7-11-26(24)28)17-27-14-12-23(13-15-27)16-22-8-4-3-5-9-22;26-25(27,28)23(31)21-18-30(22-10-5-4-9-20(21)22)14-6-13-29-15-11-24(32,12-16-29)17-19-7-2-1-3-8-19;1-17(28)23-16-27(24-5-3-2-4-22(23)24)15-19(29)14-26-12-10-21(11-13-26)30-20-8-6-18(25)7-9-20;1-3-14-24-17-8-10-21(11-9-17)12-13-22-15-19(16(2)23)18-6-4-5-7-20(18)22/h4-6,8-11,18-20H,7,12-17H2,1-3H3;2-3,5-6,17,20,22-24H,4,7-16,18H2,1H3;3-11,19-20,23H,12-18H2,1-2H3;1-5,7-10,18,32H,6,11-17H2;2-9,16,19,21,29H,10-15H2,1H3;4-7,15,17H,3,8-14H2,1-2H3 |
| InChIKey | JIPLGFTYHRBTHU-UHFFFAOYSA-N |
| XLogP | 28.01 |
| TPSA | 232.06 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2416.61 |
| LogP ≤ 5 | 28.01 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 25 |