2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone

C121H135FN8O8 — CID 162223812

About 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone

2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone (PubChem CID 162223812) has the molecular formula C121H135FN8O8 and a molecular weight of 1848.46 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone
• PubChem CID: 162223812
• Molecular Formula: C121H135FN8O8
• Molecular Weight: 1848.46 g/mol
• Exact Mass: 1847.04
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone
• SMILES: COc1ccc(CC(=O)c2ccc(Cc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)cc2)cc1.COc1cccc(CC(=O)c2ccc(Cc3ccc4c(ccn4CCCN(C)C)c3)cc2)c1.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3ccc(C(=O)Cc4ccc(F)cc4)cc3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3ccc(C(=O)Cc4ccc5c(c4)OCO5)cc3)cc12
• InChI: InChI=1S/C31H34N2O3.C31H36N2O2.C30H33FN2O.C29H32N2O2/c1-21-22(2)33(15-5-14-32(3)4)28-12-8-24(17-27(21)28)16-23-6-10-26(11-7-23)29(34)18-25-9-13-30-31(19-25)36-20-35-30;1-22-23(2)33(18-6-17-32(3)4)30-16-11-26(20-29(22)30)19-24-7-12-27(13-8-24)31(34)21-25-9-14-28(35-5)15-10-25;1-21-22(2)33(17-5-16-32(3)4)29-15-10-25(19-28(21)29)18-23-6-11-26(12-7-23)30(34)20-24-8-13-27(31)14-9-24;1-30(2)15-5-16-31-17-14-26-19-24(10-13-28(26)31)18-22-8-11-25(12-9-22)29(32)21-23-6-4-7-27(20-23)33-3/h6-13,17,19H,5,14-16,18,20H2,1-4H3;7-16,20H,6,17-19,21H2,1-5H3;6-15,19H,5,16-18,20H2,1-4H3;4,6-14,17,19-20H,5,15-16,18,21H2,1-3H3
• InChIKey: ZUMGJSKKIHIUPN-UHFFFAOYSA-N
• XLogP: 24.17
• TPSA: 137.88 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 38
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1848.46
LogP ≤ 5	24.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone (CID 162223812) is 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2ccc(Cc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)cc2)cc1.COc1cccc(CC(=O)c2ccc(Cc3ccc4c(ccn4CCCN(C)C)c3)cc2)c1.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3ccc(C(=O)Cc4ccc(F)cc4)cc3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3ccc(C(=O)Cc4ccc5c(c4)OCO5)cc3)cc12.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone?

The InChIKey is ZUMGJSKKIHIUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3.C31H36N2O2.C30H33FN2O.C29H32N2O2/c1-21-22(2)33(15-5-14-32(3)4)28-12-8-24(17-27(21)28)16-23-6-10-26(11-7-23)29(34)18-25-9-13-30-31(19-25)36-20-35-30;1-22-23(2)33(18-6-17-32(3)4)30-16-11-26(20-29(22)30)19-24-7-12-27(13-8-24)31(34)21-25-9-14-28(35-5)15-10-25;1-21-22(2)33(17-5-16-32(3)4)29-15-10-25(19-28(21)29)18-23-6-11-26(12-7-23)30(34)20-24-8-13-27(31)14-9-24;1-30(2)15-5-16-31-17-14-26-19-24(10-13-28(26)31)18-22-8-11-25(12-9-22)29(32)21-23-6-4-7-27(20-23)33-3/h6-13,17,19H,5,14-16,18,20H2,1-4H3;7-16,20H,6,17-19,21H2,1-5H3;6-15,19H,5,16-18,20H2,1-4H3;4,6-14,17,19-20H,5,15-16,18,21H2,1-3H3.

What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone?

2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 1848.46 g/mol, XLogP of 24.17, 38 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 162223812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).