1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

C72H92BrN7O8 — CID 161320647

About 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 161320647) has the molecular formula C72H92BrN7O8 and a molecular weight of 1263.47 g/mol. Its IUPAC name is 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
• PubChem CID: 161320647
• Molecular Formula: C72H92BrN7O8
• Molecular Weight: 1263.47 g/mol
• Exact Mass: 1261.62
• IUPAC Name: 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccc(Br)cc12.CCCOC1CCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)CC1.COc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C(C)=O)c2cccc(OC)c21)C3
• InChI: InChI=1S/C26H29N3O3.C24H31BrN2O2.C22H32N2O3/c1-17(30)22-15-29(26-20(22)6-4-7-25(26)32-3)12-5-11-28-13-10-19-21-14-18(31-2)8-9-23(21)27-24(19)16-28;1-16(28)23-14-26(24-8-5-18(25)11-22(23)24)9-2-10-27-19-6-7-20(27)13-21(12-19)29-15-17-3-4-17;1-4-15-27-18-9-13-23(14-10-18)11-6-12-24-16-20(17(2)25)19-7-5-8-21(26-3)22(19)24/h4,6-9,14-15,27H,5,10-13,16H2,1-3H3;5,8,11,14,17,19-21H,2-4,6-7,9-10,12-13,15H2,1H3;5,7-8,16,18H,4,6,9-15H2,1-3H3
• InChIKey: VKCDAWZYRUOLDJ-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 137.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1263.47
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (CID 161320647) is 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccc(Br)cc12.CCCOC1CCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)CC1.COc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C(C)=O)c2cccc(OC)c21)C3.

What is the InChIKey of 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The InChIKey is VKCDAWZYRUOLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3.C24H31BrN2O2.C22H32N2O3/c1-17(30)22-15-29(26-20(22)6-4-7-25(26)32-3)12-5-11-28-13-10-19-21-14-18(31-2)8-9-23(21)27-24(19)16-28;1-16(28)23-14-26(24-8-5-18(25)11-22(23)24)9-2-10-27-19-6-7-20(27)13-21(12-19)29-15-17-3-4-17;1-4-15-27-18-9-13-23(14-10-18)11-6-12-24-16-20(17(2)25)19-7-5-8-21(26-3)22(19)24/h4,6-9,14-15,27H,5,10-13,16H2,1-3H3;5,8,11,14,17,19-21H,2-4,6-7,9-10,12-13,15H2,1H3;5,7-8,16,18H,4,6,9-15H2,1-3H3.

What are the key properties of 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone has a molecular weight of 1263.47 g/mol, XLogP of 14.34, 24 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 161320647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).