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

C107H132N12O11 — CID 159278496

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

1-[7-methoxy-1-[2-methyl-3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 159278496) has the molecular formula C107H132N12O11 and a molecular weight of 1762.31 g/mol. Its IUPAC name is 1-[7-methoxy-1-[2-methyl-3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-methoxy-1-[2-methyl-3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 159278496
• Molecular Formula: C107H132N12O11
• Molecular Weight: 1762.31 g/mol
• Exact Mass: 1761.01
• IUPAC Name: 1-[7-methoxy-1-[2-methyl-3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: COc1cccc2c(C(C)=O)cn(CC(C)CN3C4CCC3CC(CCc3ccccc3)C4)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCC(c4nc(-c5cccnc5)no4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCN(CCOc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CNCCOc3ccccc3)c12
• InChI: InChI=1S/C30H38N2O2.C27H31N5O3.C27H35N3O3.C23H28N2O3/c1-21(18-31-20-28(22(2)33)27-10-7-11-29(34-3)30(27)31)19-32-25-14-15-26(32)17-24(16-25)13-12-23-8-5-4-6-9-23;1-18(16-32-17-23(19(2)33)22-7-4-8-24(34-3)25(22)32)15-31-12-9-20(10-13-31)27-29-26(30-35-27)21-6-5-11-28-14-21;1-21(19-30-20-25(22(2)31)24-10-7-11-26(32-3)27(24)30)18-29-14-12-28(13-15-29)16-17-33-23-8-5-4-6-9-23;1-17(14-24-12-13-28-19-8-5-4-6-9-19)15-25-16-21(18(2)26)20-10-7-11-22(27-3)23(20)25/h4-11,20-21,24-26H,12-19H2,1-3H3;4-8,11,14,17-18,20H,9-10,12-13,15-16H2,1-3H3;4-11,20-21H,12-19H2,1-3H3;4-11,16-17,24H,12-15H2,1-3H3
• InChIKey: KYPPXUAOINHWQU-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 220.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1762.31
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[7-methoxy-1-[2-methyl-3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone (CID 159278496) is 1-[7-methoxy-1-[2-methyl-3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

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

The canonical SMILES for 1-[7-methoxy-1-[2-methyl-3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is COc1cccc2c(C(C)=O)cn(CC(C)CN3C4CCC3CC(CCc3ccccc3)C4)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCC(c4nc(-c5cccnc5)no4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCN(CCOc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CNCCOc3ccccc3)c12.

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

The InChIKey is KYPPXUAOINHWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2.C27H31N5O3.C27H35N3O3.C23H28N2O3/c1-21(18-31-20-28(22(2)33)27-10-7-11-29(34-3)30(27)31)19-32-25-14-15-26(32)17-24(16-25)13-12-23-8-5-4-6-9-23;1-18(16-32-17-23(19(2)33)22-7-4-8-24(34-3)25(22)32)15-31-12-9-20(10-13-31)27-29-26(30-35-27)21-6-5-11-28-14-21;1-21(19-30-20-25(22(2)31)24-10-7-11-26(32-3)27(24)30)18-29-14-12-28(13-15-29)16-17-33-23-8-5-4-6-9-23;1-17(14-24-12-13-28-19-8-5-4-6-9-19)15-25-16-21(18(2)26)20-10-7-11-22(27-3)23(20)25/h4-11,20-21,24-26H,12-19H2,1-3H3;4-8,11,14,17-18,20H,9-10,12-13,15-16H2,1-3H3;4-11,20-21H,12-19H2,1-3H3;4-11,16-17,24H,12-15H2,1-3H3.

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

1-[7-methoxy-1-[2-methyl-3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 1762.31 g/mol, XLogP of 19.52, 37 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-methoxy-1-[2-methyl-3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 159278496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).