1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]indol-3-yl]ethanone

C95H125BrN8O7 — CID 158686709

About 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]indol-3-yl]ethanone

1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]indol-3-yl]ethanone (PubChem CID 158686709) has the molecular formula C95H125BrN8O7 and a molecular weight of 1571.00 g/mol. Its IUPAC name is 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]indol-3-yl]ethanone
• PubChem CID: 158686709
• Molecular Formula: C95H125BrN8O7
• Molecular Weight: 1571.00 g/mol
• Exact Mass: 1568.89
• IUPAC Name: 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CCCCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CCCOC1CCN(CCCn2cc(C(C)=O)c3cc(Br)ccc32)CC1.COc1ccc2c(c1)C1=C(C2)CN(CCCn2cc(C(C)=O)c3ccccc32)CC1
• InChI: InChI=1S/C26H28N2O2.C24H32N2O2.C24H36N2O.C21H29BrN2O2/c1-18(29)25-17-28(26-7-4-3-6-23(25)26)12-5-11-27-13-10-22-20(16-27)14-19-8-9-21(30-2)15-24(19)22;1-17(27)23-15-25(24-6-3-2-5-22(23)24)11-4-12-26-19-9-10-20(26)14-21(13-19)28-16-18-7-8-18;1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26;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/h3-4,6-9,15,17H,5,10-14,16H2,1-2H3;2-3,5-6,15,18-21H,4,7-14,16H2,1H3;7-8,11-12,19,21H,3-6,9-10,13-18H2,1-2H3;5-6,14-15,18H,3-4,7-13H2,1-2H3
• InChIKey: IFVGWBHHLNAHBA-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 128.65 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1571.00
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]indol-3-yl]ethanone (CID 158686709) is 1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CCCCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CCCOC1CCN(CCCn2cc(C(C)=O)c3cc(Br)ccc32)CC1.COc1ccc2c(c1)C1=C(C2)CN(CCCn2cc(C(C)=O)c3ccccc32)CC1.

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

The InChIKey is IFVGWBHHLNAHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2.C24H32N2O2.C24H36N2O.C21H29BrN2O2/c1-18(29)25-17-28(26-7-4-3-6-23(25)26)12-5-11-27-13-10-22-20(16-27)14-19-8-9-21(30-2)15-24(19)22;1-17(27)23-15-25(24-6-3-2-5-22(23)24)11-4-12-26-19-9-10-20(26)14-21(13-19)28-16-18-7-8-18;1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26;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/h3-4,6-9,15,17H,5,10-14,16H2,1-2H3;2-3,5-6,15,18-21H,4,7-14,16H2,1H3;7-8,11-12,19,21H,3-6,9-10,13-18H2,1-2H3;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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]indol-3-yl]ethanone?

1-[5-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]indol-3-yl]ethanone has a molecular weight of 1571.00 g/mol, XLogP of 20.42, 32 rotatable bonds, 0 hydrogen bond donors, and 15 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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 158686709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).