1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone

C84H102Cl3N9O7 — CID 158795023

About 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone

1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone (PubChem CID 158795023) has the molecular formula C84H102Cl3N9O7 and a molecular weight of 1456.15 g/mol. Its IUPAC name is 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone
• PubChem CID: 158795023
• Molecular Formula: C84H102Cl3N9O7
• Molecular Weight: 1456.15 g/mol
• Exact Mass: 1453.70
• IUPAC Name: 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCN(CCOc3ccc(Cl)c4ccccc34)CC2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCN(CCOc4ccc(Cl)cc4)CC3)c12
• InChI: InChI=1S/C30H34ClN3O2.C27H34ClN3O3.C27H34ClN3O2/c1-22-7-5-10-26-27(23(2)35)21-34(30(22)26)14-6-13-32-15-17-33(18-16-32)19-20-36-29-12-11-28(31)24-8-3-4-9-25(24)29;1-20(18-31-19-25(21(2)32)24-5-4-6-26(33-3)27(24)31)17-30-13-11-29(12-14-30)15-16-34-23-9-7-22(28)8-10-23;1-3-22-6-4-7-25-26(21(2)32)20-31(27(22)25)13-5-12-29-14-16-30(17-15-29)18-19-33-24-10-8-23(28)9-11-24/h3-5,7-12,21H,6,13-20H2,1-2H3;4-10,19-20H,11-18H2,1-3H3;4,6-11,20H,3,5,12-19H2,1-2H3
• InChIKey: ISTJMEACOQZXCN-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 122.36 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1456.15
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone (CID 158795023) is 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCN(CCOc3ccc(Cl)c4ccccc34)CC2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.

What is the InChIKey of 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone?

The InChIKey is ISTJMEACOQZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O2.C27H34ClN3O3.C27H34ClN3O2/c1-22-7-5-10-26-27(23(2)35)21-34(30(22)26)14-6-13-32-15-17-33(18-16-32)19-20-36-29-12-11-28(31)24-8-3-4-9-25(24)29;1-20(18-31-19-25(21(2)32)24-5-4-6-26(33-3)27(24)31)17-30-13-11-29(12-14-30)15-16-34-23-9-7-22(28)8-10-23;1-3-22-6-4-7-25-26(21(2)32)20-31(27(22)25)13-5-12-29-14-16-30(17-15-29)18-19-33-24-10-8-23(28)9-11-24/h3-5,7-12,21H,6,13-20H2,1-2H3;4-10,19-20H,11-18H2,1-3H3;4,6-11,20H,3,5,12-19H2,1-2H3.

What are the key properties of 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone?

1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone has a molecular weight of 1456.15 g/mol, XLogP of 16.03, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone is sourced from PubChem (CID 158795023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).