1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one

C80H106ClFN6O8 — CID 157251205

About 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one

1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one (PubChem CID 157251205) has the molecular formula C80H106ClFN6O8 and a molecular weight of 1334.21 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one
• PubChem CID: 157251205
• Molecular Formula: C80H106ClFN6O8
• Molecular Weight: 1334.21 g/mol
• Exact Mass: 1332.77
• IUPAC Name: 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one
• SMILES: CCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccc(OC)cc12.CCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccc(OC)cc12.CCCOC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1
• InChI: InChI=1S/C28H35ClN2O3.C28H35FN2O3.C24H36N2O2/c2*1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22;1-4-16-28-20-10-14-25(15-11-20)12-7-13-26-18-22(24(27)17-19(2)3)21-8-5-6-9-23(21)26/h2*7-12,19-20,23H,3-6,13-18H2,1-2H3;5-6,8-9,18-20H,4,7,10-17H2,1-3H3
• InChIKey: AWJDVMGZHUCECD-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 121.87 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1334.21
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one?

The IUPAC name of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one (CID 157251205) is 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one.

What is the SMILES notation for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one?

The canonical SMILES for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one is CCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccc(OC)cc12.CCCCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccc(OC)cc12.CCCOC1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.

What is the InChIKey of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one?

The InChIKey is AWJDVMGZHUCECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2O3.C28H35FN2O3.C24H36N2O2/c2*1-3-4-6-28(32)26-20-31(27-12-11-24(33-2)19-25(26)27)16-5-15-30-17-13-23(14-18-30)34-22-9-7-21(29)8-10-22;1-4-16-28-20-10-14-25(15-11-20)12-7-13-26-18-22(24(27)17-19(2)3)21-8-5-6-9-23(21)26/h2*7-12,19-20,23H,3-6,13-18H2,1-2H3;5-6,8-9,18-20H,4,7,10-17H2,1-3H3.

What are the key properties of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one?

1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one has a molecular weight of 1334.21 g/mol, XLogP of 17.86, 32 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;3-methyl-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-1-one is sourced from PubChem (CID 157251205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).