4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone

C132H151Cl3FN13O13 — CID 160630892

About 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone

4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 160630892) has the molecular formula C132H151Cl3FN13O13 and a molecular weight of 2253.09 g/mol. Its IUPAC name is 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 160630892
• Molecular Formula: C132H151Cl3FN13O13
• Molecular Weight: 2253.09 g/mol
• Exact Mass: 2250.06
• IUPAC Name: 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2c(C)cccc12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(C#N)cc4)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)CC1
• InChI: InChI=1S/C31H33Cl2N3O3.C26H32N2O3.C25H29ClN2O2.C25H29FN2O3.C25H28N4O2/c1-38-29-8-3-7-27-28(31(37)34-20-22-5-2-6-24(33)19-22)21-36(30(27)29)16-4-15-35-17-13-26(14-18-35)39-25-11-9-23(32)10-12-25;1-19(29)23-18-28(26-22(23)9-6-11-25(26)31-3)15-7-14-27-16-12-20(13-17-27)21-8-4-5-10-24(21)30-2;1-18-7-5-8-21-22(19(2)29)17-28(25(18)21)14-6-13-27-15-11-20(12-16-27)30-24-10-4-3-9-23(24)26;1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20;1-19(30)23-18-29(25-22(23)5-3-6-24(25)31-2)12-4-11-27-13-15-28(16-14-27)21-9-7-20(17-26)8-10-21/h2-3,5-12,19,21,26H,4,13-18,20H2,1H3,(H,34,37);4-6,8-11,18,20H,7,12-17H2,1-3H3;3-5,7-10,17,20H,6,11-16H2,1-2H3;3,5-10,17,21H,4,11-16H2,1-2H3;3,5-10,18H,4,11-16H2,1-2H3
• InChIKey: RHXITSXUPBOIIQ-UHFFFAOYSA-N
• XLogP: 26.55
• TPSA: 239.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2253.09
LogP ≤ 5	26.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone (CID 160630892) is 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2c(C)cccc12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(C#N)cc4)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)CC1.

What is the InChIKey of 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is RHXITSXUPBOIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33Cl2N3O3.C26H32N2O3.C25H29ClN2O2.C25H29FN2O3.C25H28N4O2/c1-38-29-8-3-7-27-28(31(37)34-20-22-5-2-6-24(33)19-22)21-36(30(27)29)16-4-15-35-17-13-26(14-18-35)39-25-11-9-23(32)10-12-25;1-19(29)23-18-28(26-22(23)9-6-11-25(26)31-3)15-7-14-27-16-12-20(13-17-27)21-8-4-5-10-24(21)30-2;1-18-7-5-8-21-22(19(2)29)17-28(25(18)21)14-6-13-27-15-11-20(12-16-27)30-24-10-4-3-9-23(24)26;1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20;1-19(30)23-18-29(25-22(23)5-3-6-24(25)31-2)12-4-11-27-13-15-28(16-14-27)21-9-7-20(17-26)8-10-21/h2-3,5-12,19,21,26H,4,13-18,20H2,1H3,(H,34,37);4-6,8-11,18,20H,7,12-17H2,1-3H3;3-5,7-10,17,20H,6,11-16H2,1-2H3;3,5-10,17,21H,4,11-16H2,1-2H3;3,5-10,18H,4,11-16H2,1-2H3.

What are the key properties of 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone?

4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 2253.09 g/mol, XLogP of 26.55, 40 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]benzonitrile;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 160630892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).