1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone

C61H73BrClF6N13O5S — CID 159148457

About 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone

1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone (PubChem CID 159148457) has the molecular formula C61H73BrClF6N13O5S and a molecular weight of 1329.75 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
• PubChem CID: 159148457
• Molecular Formula: C61H73BrClF6N13O5S
• Molecular Weight: 1329.75 g/mol
• Exact Mass: 1327.44
• IUPAC Name: 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(Br)cc3[nH]ccc23)CC1.CC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1(C)C.CC1(C)CN(c2cc(C(F)(F)F)cc3[nH]ccc23)CCN1S(C)(=O)=O.CNC(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
• InChI: InChI=1S/C17H20F3N3O.C16H20F3N3O2S.C14H16BrN3O.C14H17ClN4O/c1-11(24)23-7-6-22(10-16(23,2)3)15-9-12(17(18,19)20)8-14-13(15)4-5-21-14;1-15(2)10-21(6-7-22(15)25(3,23)24)14-9-11(16(17,18)19)8-13-12(14)4-5-20-13;1-10(19)17-4-6-18(7-5-17)14-9-11(15)8-13-12(14)2-3-16-13;1-16-14(20)19-6-4-18(5-7-19)13-9-10(15)8-12-11(13)2-3-17-12/h4-5,8-9,21H,6-7,10H2,1-3H3;4-5,8-9,20H,6-7,10H2,1-3H3;2-3,8-9,16H,4-7H2,1H3;2-3,8-9,17H,4-7H2,1H3,(H,16,20)
• InChIKey: KIZAUXBCQQAZPM-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 186.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1329.75
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone (CID 159148457) is 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(Br)cc3[nH]ccc23)CC1.CC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1(C)C.CC1(C)CN(c2cc(C(F)(F)F)cc3[nH]ccc23)CCN1S(C)(=O)=O.CNC(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.

What is the InChIKey of 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?

The InChIKey is KIZAUXBCQQAZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O.C16H20F3N3O2S.C14H16BrN3O.C14H17ClN4O/c1-11(24)23-7-6-22(10-16(23,2)3)15-9-12(17(18,19)20)8-14-13(15)4-5-21-14;1-15(2)10-21(6-7-22(15)25(3,23)24)14-9-11(16(17,18)19)8-13-12(14)4-5-20-13;1-10(19)17-4-6-18(7-5-17)14-9-11(15)8-13-12(14)2-3-16-13;1-16-14(20)19-6-4-18(5-7-19)13-9-10(15)8-12-11(13)2-3-17-12/h4-5,8-9,21H,6-7,10H2,1-3H3;4-5,8-9,20H,6-7,10H2,1-3H3;2-3,8-9,16H,4-7H2,1H3;2-3,8-9,17H,4-7H2,1H3,(H,16,20).

What are the key properties of 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?

1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone has a molecular weight of 1329.75 g/mol, XLogP of 11.56, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159148457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).