6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone

C59H74F4N12O6S2 — CID 160524766

About 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone

6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone (PubChem CID 160524766) has the molecular formula C59H74F4N12O6S2 and a molecular weight of 1187.44 g/mol. Its IUPAC name is 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
• PubChem CID: 160524766
• Molecular Formula: C59H74F4N12O6S2
• Molecular Weight: 1187.44 g/mol
• Exact Mass: 1186.52
• IUPAC Name: 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1(C)C.CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1C.CN(C)S(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1.O=S(=O)(N1CCC(c2c[nH]c3cc(F)ccc23)CC1)C(F)(F)F
• InChI: InChI=1S/C16H21N3O.C15H19N3O.C14H14F4N2O2S.C14H20N4O2S/c1-12(20)19-9-8-18(11-16(19,2)3)15-10-17-14-7-5-4-6-13(14)15;1-11-10-17(7-8-18(11)12(2)19)15-9-16-14-6-4-3-5-13(14)15;15-10-1-2-11-12(8-19-13(11)7-10)9-3-5-20(6-4-9)23(21,22)14(16,17)18;1-16(2)21(19,20)18-9-7-17(8-10-18)14-11-15-13-6-4-3-5-12(13)14/h4-7,10,17H,8-9,11H2,1-3H3;3-6,9,11,16H,7-8,10H2,1-2H3;1-2,7-9,19H,3-6H2;3-6,11,15H,7-10H2,1-2H3
• InChIKey: QUTATVYAYZGHIA-UHFFFAOYSA-N
• XLogP: 9.27
• TPSA: 191.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1187.44
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone?

The IUPAC name of 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone (CID 160524766) is 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone.

What is the SMILES notation for 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone?

The canonical SMILES for 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1(C)C.CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1C.CN(C)S(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1.O=S(=O)(N1CCC(c2c[nH]c3cc(F)ccc23)CC1)C(F)(F)F.

What is the InChIKey of 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone?

The InChIKey is QUTATVYAYZGHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.C15H19N3O.C14H14F4N2O2S.C14H20N4O2S/c1-12(20)19-9-8-18(11-16(19,2)3)15-10-17-14-7-5-4-6-13(14)15;1-11-10-17(7-8-18(11)12(2)19)15-9-16-14-6-4-3-5-13(14)15;15-10-1-2-11-12(8-19-13(11)7-10)9-3-5-20(6-4-9)23(21,22)14(16,17)18;1-16(2)21(19,20)18-9-7-17(8-10-18)14-11-15-13-6-4-3-5-12(13)14/h4-7,10,17H,8-9,11H2,1-3H3;3-6,9,11,16H,7-8,10H2,1-2H3;1-2,7-9,19H,3-6H2;3-6,11,15H,7-10H2,1-2H3.

What are the key properties of 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone?

6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone has a molecular weight of 1187.44 g/mol, XLogP of 9.27, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 160524766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).