3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole

C73H84Cl2F5N11O9S4 — CID 158598530

About 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole

3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole (PubChem CID 158598530) has the molecular formula C73H84Cl2F5N11O9S4 and a molecular weight of 1553.71 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole.

Molecular Properties

• Compound Name: 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole
• PubChem CID: 158598530
• Molecular Formula: C73H84Cl2F5N11O9S4
• Molecular Weight: 1553.71 g/mol
• Exact Mass: 1551.46
• IUPAC Name: 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole
• SMILES: CC(=O)N1CCC(c2c[nH]c3cc(C#N)ccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3c(Cl)cccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(F)c(F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
• InChI: InChI=1S/C16H17N3O.C15H17F3N2O2S.2C14H17ClN2O2S.C14H16F2N2O2S/c1-11(20)19-6-4-13(5-7-19)15-10-18-16-8-12(9-17)2-3-14(15)16;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-3-2-11(8-12(13)14)15(16,17)18;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14/h2-3,8,10,13,18H,4-7H2,1H3;2-3,8-10,19H,4-7H2,1H3;2-3,8-10,16H,4-7H2,1H3;2-4,9-10,16H,5-8H2,1H3;6-9,17H,2-5H2,1H3
• InChIKey: HVIHRURPOVPRDT-UHFFFAOYSA-N
• XLogP: 14.60
• TPSA: 272.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1553.71
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole?

The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole (CID 158598530) is 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole.

What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole?

The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole is CC(=O)N1CCC(c2c[nH]c3cc(C#N)ccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3c(Cl)cccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(F)c(F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.

What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole?

The InChIKey is HVIHRURPOVPRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.C15H17F3N2O2S.2C14H17ClN2O2S.C14H16F2N2O2S/c1-11(20)19-6-4-13(5-7-19)15-10-18-16-8-12(9-17)2-3-14(15)16;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-3-2-11(8-12(13)14)15(16,17)18;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14/h2-3,8,10,13,18H,4-7H2,1H3;2-3,8-10,19H,4-7H2,1H3;2-3,8-10,16H,4-7H2,1H3;2-4,9-10,16H,5-8H2,1H3;6-9,17H,2-5H2,1H3.

What are the key properties of 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole?

3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole has a molecular weight of 1553.71 g/mol, XLogP of 14.60, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 158598530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).