1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone

C107H123Br4N15O7 — CID 159423642

About 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone

1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 159423642) has the molecular formula C107H123Br4N15O7 and a molecular weight of 2050.87 g/mol. Its IUPAC name is 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 159423642
• Molecular Formula: C107H123Br4N15O7
• Molecular Weight: 2050.87 g/mol
• Exact Mass: 2045.65
• IUPAC Name: 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1c(C)n(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2c(Br)cccc12.CC(=O)c1c(C)n(CCCN2CCC(c3nc(-c4cccnc4)no3)CC2)c2c(Br)cccc12.CC(=O)c1c(C)n(CCCN2CCC(c3nc(-c4ccncc4)no3)CC2)c2c(Br)cccc12.CC(=O)c1c(C)n(CCCN2CCN(CCOc3ccccc3)CC2)c2c(Br)cccc12
• InChI: InChI=1S/C29H35BrN2O.2C26H28BrN5O2.C26H32BrN3O2/c1-20-28(21(2)33)26-10-6-11-27(30)29(26)31(20)16-7-17-32-24-14-15-25(32)19-23(18-24)13-12-22-8-4-3-5-9-22;1-17-23(18(2)33)21-7-3-8-22(27)24(21)32(17)13-5-12-31-14-9-19(10-15-31)26-29-25(30-34-26)20-6-4-11-28-16-20;1-17-23(18(2)33)21-5-3-6-22(27)24(21)32(17)14-4-13-31-15-9-20(10-16-31)26-29-25(30-34-26)19-7-11-28-12-8-19;1-20-25(21(2)31)23-10-6-11-24(27)26(23)30(20)13-7-12-28-14-16-29(17-15-28)18-19-32-22-8-4-3-5-9-22/h3-6,8-11,23-25H,7,12-19H2,1-2H3;3-4,6-8,11,16,19H,5,9-10,12-15H2,1-2H3;3,5-8,11-12,20H,4,9-10,13-16H2,1-2H3;3-6,8-11H,7,12-19H2,1-2H3
• InChIKey: LQBLQEPKWLBRJE-UHFFFAOYSA-N
• XLogP: 23.44
• TPSA: 217.05 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.87
LogP ≤ 5	23.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (CID 159423642) is 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)c1c(C)n(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2c(Br)cccc12.CC(=O)c1c(C)n(CCCN2CCC(c3nc(-c4cccnc4)no3)CC2)c2c(Br)cccc12.CC(=O)c1c(C)n(CCCN2CCC(c3nc(-c4ccncc4)no3)CC2)c2c(Br)cccc12.CC(=O)c1c(C)n(CCCN2CCN(CCOc3ccccc3)CC2)c2c(Br)cccc12.

What is the InChIKey of 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is LQBLQEPKWLBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35BrN2O.2C26H28BrN5O2.C26H32BrN3O2/c1-20-28(21(2)33)26-10-6-11-27(30)29(26)31(20)16-7-17-32-24-14-15-25(32)19-23(18-24)13-12-22-8-4-3-5-9-22;1-17-23(18(2)33)21-7-3-8-22(27)24(21)32(17)13-5-12-31-14-9-19(10-15-31)26-29-25(30-34-26)20-6-4-11-28-16-20;1-17-23(18(2)33)21-5-3-6-22(27)24(21)32(17)14-4-13-31-15-9-20(10-16-31)26-29-25(30-34-26)19-7-11-28-12-8-19;1-20-25(21(2)31)23-10-6-11-24(27)26(23)30(20)13-7-12-28-14-16-29(17-15-28)18-19-32-22-8-4-3-5-9-22/h3-6,8-11,23-25H,7,12-19H2,1-2H3;3-4,6-8,11,16,19H,5,9-10,12-15H2,1-2H3;3,5-8,11-12,20H,4,9-10,13-16H2,1-2H3;3-6,8-11H,7,12-19H2,1-2H3.

What are the key properties of 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 2050.87 g/mol, XLogP of 23.44, 31 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-bromo-2-methyl-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-2-methyl-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 159423642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).