1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone

C77H89F3N6O7 — CID 159766192

About 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone (PubChem CID 159766192) has the molecular formula C77H89F3N6O7 and a molecular weight of 1267.59 g/mol. Its IUPAC name is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

• Compound Name: 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
• PubChem CID: 159766192
• Molecular Formula: C77H89F3N6O7
• Molecular Weight: 1267.59 g/mol
• Exact Mass: 1266.67
• IUPAC Name: 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
• SMILES: CC(=O)c1cn(CC(C)CN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12.COc1ccc2c(C(C)=O)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c2c1.O=C(c1cn(CCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12)C(F)(F)F
• InChI: InChI=1S/C26H30N2O3.C26H32N2O2.C25H27F3N2O2/c1-19(29)24-18-28(25-17-22(31-2)9-10-23(24)25)14-6-13-27-15-11-21(12-16-27)26(30)20-7-4-3-5-8-20;1-20(18-28-19-24(21(2)29)23-10-6-7-11-25(23)28)17-27-14-12-26(30,13-15-27)16-22-8-4-3-5-9-22;26-25(27,28)23(31)21-18-30(22-10-5-4-9-20(21)22)14-6-13-29-15-11-24(32,12-16-29)17-19-7-2-1-3-8-19/h3-5,7-10,17-18,21H,6,11-16H2,1-2H3;3-11,19-20,30H,12-18H2,1-2H3;1-5,7-10,18,32H,6,11-17H2
• InChIKey: NFNJHHRNHNBFJC-UHFFFAOYSA-N
• XLogP: 14.23
• TPSA: 142.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1267.59
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?

The IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone (CID 159766192) is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone.

What is the SMILES notation for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?

The canonical SMILES for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone is CC(=O)c1cn(CC(C)CN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12.COc1ccc2c(C(C)=O)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c2c1.O=C(c1cn(CCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12)C(F)(F)F.

What is the InChIKey of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?

The InChIKey is NFNJHHRNHNBFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3.C26H32N2O2.C25H27F3N2O2/c1-19(29)24-18-28(25-17-22(31-2)9-10-23(24)25)14-6-13-27-15-11-21(12-16-27)26(30)20-7-4-3-5-8-20;1-20(18-28-19-24(21(2)29)23-10-6-7-11-25(23)28)17-27-14-12-26(30,13-15-27)16-22-8-4-3-5-9-22;26-25(27,28)23(31)21-18-30(22-10-5-4-9-20(21)22)14-6-13-29-15-11-24(32,12-16-29)17-19-7-2-1-3-8-19/h3-5,7-10,17-18,21H,6,11-16H2,1-2H3;3-11,19-20,30H,12-18H2,1-2H3;1-5,7-10,18,32H,6,11-17H2.

What are the key properties of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone?

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 1267.59 g/mol, XLogP of 14.23, 22 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 159766192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).