1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone

C76H90Cl3N7O7 — CID 160793662

About 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone

1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 160793662) has the molecular formula C76H90Cl3N7O7 and a molecular weight of 1319.96 g/mol. Its IUPAC name is 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 160793662
• Molecular Formula: C76H90Cl3N7O7
• Molecular Weight: 1319.96 g/mol
• Exact Mass: 1317.60
• IUPAC Name: 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12.CCCCC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c2c1
• InChI: InChI=1S/C28H35ClN2O3.C25H29ClN2O3.C23H26ClN3O/c1-3-4-9-27(32)24-20-31(26-12-11-22(33-2)19-23(24)26)16-7-15-30-17-13-21(14-18-30)34-28-10-6-5-8-25(28)29;1-18(29)22-17-28(24-16-20(30-2)8-9-21(22)24)13-5-12-27-14-10-19(11-15-27)31-25-7-4-3-6-23(25)26;1-18(28)20-17-27(22-9-4-2-7-19(20)22)12-6-11-25-13-15-26(16-14-25)23-10-5-3-8-21(23)24/h5-6,8,10-12,19-21H,3-4,7,9,13-18H2,1-2H3;3-4,6-9,16-17,19H,5,10-15H2,1-2H3;2-5,7-10,17H,6,11-16H2,1H3
• InChIKey: SCDOZZICYRRJFE-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 115.88 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1319.96
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone (CID 160793662) is 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12.CCCCC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c2c1.

What is the InChIKey of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is SCDOZZICYRRJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2O3.C25H29ClN2O3.C23H26ClN3O/c1-3-4-9-27(32)24-20-31(26-12-11-22(33-2)19-23(24)26)16-7-15-30-17-13-21(14-18-30)34-28-10-6-5-8-25(28)29;1-18(29)22-17-28(24-16-20(30-2)8-9-21(22)24)13-5-12-27-14-10-19(11-15-27)31-25-7-4-3-6-23(25)26;1-18(28)20-17-27(22-9-4-2-7-19(20)22)12-6-11-25-13-15-26(16-14-25)23-10-5-3-8-21(23)24/h5-6,8,10-12,19-21H,3-4,7,9,13-18H2,1-2H3;3-4,6-9,16-17,19H,5,10-15H2,1-2H3;2-5,7-10,17H,6,11-16H2,1H3.

What are the key properties of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 1319.96 g/mol, XLogP of 16.76, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 160793662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).