1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone

C76H96BrFN6O5 — CID 162121637

About 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone

1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone (PubChem CID 162121637) has the molecular formula C76H96BrFN6O5 and a molecular weight of 1272.54 g/mol. Its IUPAC name is 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 162121637
• Molecular Formula: C76H96BrFN6O5
• Molecular Weight: 1272.54 g/mol
• Exact Mass: 1270.66
• IUPAC Name: 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CCCOC1CCN(CCCn2cc(C(C)=O)c3cc(Br)ccc32)CC1
• InChI: InChI=1S/C28H34N2O.C27H33FN2O2.C21H29BrN2O2/c1-21(31)27-20-29(28-11-6-5-10-26(27)28)16-7-17-30-24-14-15-25(30)19-23(18-24)13-12-22-8-3-2-4-9-22;1-20(2)18-27(31)25-19-30(26-7-4-3-6-24(25)26)15-5-14-29-16-12-23(13-17-29)32-22-10-8-21(28)9-11-22;1-3-13-26-18-7-11-23(12-8-18)9-4-10-24-15-20(16(2)25)19-14-17(22)5-6-21(19)24/h2-6,8-11,20,23-25H,7,12-19H2,1H3;3-4,6-11,19-20,23H,5,12-18H2,1-2H3;5-6,14-15,18H,3-4,7-13H2,1-2H3
• InChIKey: ZHMHHEVTBYKCFH-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 94.18 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.54
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone (CID 162121637) is 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CCCOC1CCN(CCCn2cc(C(C)=O)c3cc(Br)ccc32)CC1.

What is the InChIKey of 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone?

The InChIKey is ZHMHHEVTBYKCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O.C27H33FN2O2.C21H29BrN2O2/c1-21(31)27-20-29(28-11-6-5-10-26(27)28)16-7-17-30-24-14-15-25(30)19-23(18-24)13-12-22-8-3-2-4-9-22;1-20(2)18-27(31)25-19-30(26-7-4-3-6-24(25)26)15-5-14-29-16-12-23(13-17-29)32-22-10-8-21(28)9-11-22;1-3-13-26-18-7-11-23(12-8-18)9-4-10-24-15-20(16(2)25)19-14-17(22)5-6-21(19)24/h2-6,8-11,20,23-25H,7,12-19H2,1H3;3-4,6-11,19-20,23H,5,12-18H2,1-2H3;5-6,14-15,18H,3-4,7-13H2,1-2H3.

What are the key properties of 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone?

1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone has a molecular weight of 1272.54 g/mol, XLogP of 16.94, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 162121637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).