4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide

C161H178Cl10F9N19O5 — CID 158775313

About 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide

4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide (PubChem CID 158775313) has the molecular formula C161H178Cl10F9N19O5 and a molecular weight of 2984.83 g/mol. Its IUPAC name is 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide.

Molecular Properties

• Compound Name: 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide
• PubChem CID: 158775313
• Molecular Formula: C161H178Cl10F9N19O5
• Molecular Weight: 2984.83 g/mol
• Exact Mass: 2978.10
• IUPAC Name: 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide
• SMILES: CC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CC(C)(C)CNCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(C)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(N)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21
• InChI: InChI=1S/C35H41Cl2F3N4O.C33H35Cl2F3N4O2.C32H33Cl2F3N4O2.C31H35Cl2N3.C30H34Cl2N4/c1-34(2,3)24-41-14-5-15-44-23-29(26-9-11-27(12-10-26)45-35(38,39)40)28-20-25(8-13-33(28)44)21-42-16-18-43(19-17-42)22-30-31(36)6-4-7-32(30)37;1-2-32(43)39-13-4-14-42-22-27(24-8-10-25(11-9-24)44-33(36,37)38)26-19-23(7-12-31(26)42)20-40-15-17-41(18-16-40)21-28-29(34)5-3-6-30(28)35;1-22(42)38-12-3-13-41-21-27(24-7-9-25(10-8-24)43-32(35,36)37)26-18-23(6-11-31(26)41)19-39-14-16-40(17-15-39)20-28-29(33)4-2-5-30(28)34;1-3-4-14-36-22-27(25-11-8-23(2)9-12-25)26-19-24(10-13-31(26)36)20-34-15-17-35(18-16-34)21-28-29(32)6-5-7-30(28)33;1-2-3-13-36-21-26(23-8-10-24(33)11-9-23)25-18-22(7-12-30(25)36)19-34-14-16-35(17-15-34)20-27-28(31)5-4-6-29(27)32/h4,6-13,20,23,41H,5,14-19,21-22,24H2,1-3H3;3,5-12,19,22H,2,4,13-18,20-21H2,1H3,(H,39,43);2,4-11,18,21H,3,12-17,19-20H2,1H3,(H,38,42);5-13,19,22H,3-4,14-18,20-21H2,1-2H3;4-12,18,21H,2-3,13-17,19-20,33H2,1H3
• InChIKey: IQKAWKOGCYIZHV-UHFFFAOYSA-N
• XLogP: 39.32
• TPSA: 180.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 48
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2984.83
LogP ≤ 5	39.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide?

The IUPAC name of 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide (CID 158775313) is 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide.

What is the SMILES notation for 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide?

The canonical SMILES for 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide is CC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CC(C)(C)CNCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(C)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(N)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.

What is the InChIKey of 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide?

The InChIKey is IQKAWKOGCYIZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41Cl2F3N4O.C33H35Cl2F3N4O2.C32H33Cl2F3N4O2.C31H35Cl2N3.C30H34Cl2N4/c1-34(2,3)24-41-14-5-15-44-23-29(26-9-11-27(12-10-26)45-35(38,39)40)28-20-25(8-13-33(28)44)21-42-16-18-43(19-17-42)22-30-31(36)6-4-7-32(30)37;1-2-32(43)39-13-4-14-42-22-27(24-8-10-25(11-9-24)44-33(36,37)38)26-19-23(7-12-31(26)42)20-40-15-17-41(18-16-40)21-28-29(34)5-3-6-30(28)35;1-22(42)38-12-3-13-41-21-27(24-7-9-25(10-8-24)43-32(35,36)37)26-18-23(6-11-31(26)41)19-39-14-16-40(17-15-39)20-28-29(33)4-2-5-30(28)34;1-3-4-14-36-22-27(25-11-8-23(2)9-12-25)26-19-24(10-13-31(26)36)20-34-15-17-35(18-16-34)21-28-29(32)6-5-7-30(28)33;1-2-3-13-36-21-26(23-8-10-24(33)11-9-23)25-18-22(7-12-30(25)36)19-34-14-16-35(17-15-34)20-27-28(31)5-4-6-29(27)32/h4,6-13,20,23,41H,5,14-19,21-22,24H2,1-3H3;3,5-12,19,22H,2,4,13-18,20-21H2,1H3,(H,39,43);2,4-11,18,21H,3,12-17,19-20H2,1H3,(H,38,42);5-13,19,22H,3-4,14-18,20-21H2,1-2H3;4-12,18,21H,2-3,13-17,19-20,33H2,1H3.

What are the key properties of 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide?

4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide has a molecular weight of 2984.83 g/mol, XLogP of 39.32, 48 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide is sourced from PubChem (CID 158775313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).