1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one

C69H92F2N14O10S4 — CID 157272677

IUPAC1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C2CNc3ccccc32)CC1.CS(=O)(=O)N1CCC(N2CC(=O)Nc3ccccc32)CC1.CS(=O)(=O)N1CCC(N2CCNc3ccccc32)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C14H16FN3O.C14H19N3O3S.C14H21N3O2S.C14H20N2O2S.C13H16FN3O2S/c1-10(19)17-4-6-18(7-5-17)14-9-16-13-8-11(15)2-3-12(13)14;1-21(19,20)16-8-6-11(7-9-16)17-10-14(18)15-12-4-2-3-5-13(12)17;1-20(18,19)16-9-6-12(7-10-16)17-11-8-15-13-4-2-3-5-14(13)17;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14;1-20(18,19)17-6-4-16(5-7-17)13-9-15-12-8-10(14)2-3-11(12)13/h2-3,8-9,16H,4-7H2,1H3;2-5,11H,6-10H2,1H3,(H,15,18);2-5,12,15H,6-11H2,1H3;2-5,11,13,15H,6-10H2,1H3;2-3,8-9,15H,4-7H2,1H3
InChIKeyAYSLEPYIHCZDEU-UHFFFAOYSA-N
MW1443.85 g/mol
LogP7.44
Rot. Bonds9

About 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one

1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 157272677) has the molecular formula C69H92F2N14O10S4 and a molecular weight of 1443.85 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID157272677
Molecular FormulaC69H92F2N14O10S4
Molecular Weight1443.85 g/mol
Exact Mass1442.60
IUPAC Name1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C2CNc3ccccc32)CC1.CS(=O)(=O)N1CCC(N2CC(=O)Nc3ccccc32)CC1.CS(=O)(=O)N1CCC(N2CCNc3ccccc32)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C14H16FN3O.C14H19N3O3S.C14H21N3O2S.C14H20N2O2S.C13H16FN3O2S/c1-10(19)17-4-6-18(7-5-17)14-9-16-13-8-11(15)2-3-12(13)14;1-21(19,20)16-8-6-11(7-9-16)17-10-14(18)15-12-4-2-3-5-13(12)17;1-20(18,19)16-9-6-12(7-10-16)17-11-8-15-13-4-2-3-5-14(13)17;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14;1-20(18,19)17-6-4-16(5-7-17)13-9-15-12-8-10(14)2-3-11(12)13/h2-3,8-9,16H,4-7H2,1H3;2-5,11H,6-10H2,1H3,(H,15,18);2-5,12,15H,6-11H2,1H3;2-5,11,13,15H,6-10H2,1H3;2-3,8-9,15H,4-7H2,1H3
InChIKeyAYSLEPYIHCZDEU-UHFFFAOYSA-N
XLogP7.44
TPSA267.53 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.85
LogP ≤ 57.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

6-fluoro-3-[4-(trifluoromethylsulfonyl)piperazin-1-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 157312238
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;4-(1H-indol-3-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157598311
1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 159067168
6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159134273
benzyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-lambda6-sulfane;3-[1-(1,1-difluoroethylsulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;N-[[4-(1H-indol-3-yl)piperazin-1-yl]-methylidene-oxo-lambda6-sulfanyl]methanamine
CID 159495100
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159699842
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one;4-(2-oxo-1,3-dihydroindol-3-yl)piperazine-1-sulfonamide
CID 160496855
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
3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;3-[1-(1,1-difluoroethylsulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;N-[[4-(1H-indol-3-yl)piperazin-1-yl]-methylidene-oxo-lambda6-sulfanyl]methanamine
CID 160538619
N'-[[9-methylsulfonyl-8-[(8S)-8-[3-piperazin-1-ylpropyl(9H-pyrido[3,4-b]indol-1-ylmethyl)amino]-5,6,7,8-tetrahydroquinolin-4-yl]pyrido[3,4-b]indol-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 143870510
2,2-dimethyl-1-[4-[3-[[5-[8-[3-(4-methylsulfonylpiperazin-1-yl)propyl-(9H-pyrido[3,4-b]indol-1-ylmethyl)amino]-5,6,7,8-tetrahydroquinolin-6-yl]-9H-pyrido[3,4-b]indol-1-yl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]piperazin-1-yl]propan-1-one
CID 143870524
3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;3-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 157055142

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one (CID 157272677) is 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one is CC(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C2CNc3ccccc32)CC1.CS(=O)(=O)N1CCC(N2CC(=O)Nc3ccccc32)CC1.CS(=O)(=O)N1CCC(N2CCNc3ccccc32)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is AYSLEPYIHCZDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O.C14H19N3O3S.C14H21N3O2S.C14H20N2O2S.C13H16FN3O2S/c1-10(19)17-4-6-18(7-5-17)14-9-16-13-8-11(15)2-3-12(13)14;1-21(19,20)16-8-6-11(7-9-16)17-10-14(18)15-12-4-2-3-5-13(12)17;1-20(18,19)16-9-6-12(7-10-16)17-11-8-15-13-4-2-3-5-14(13)17;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14;1-20(18,19)17-6-4-16(5-7-17)13-9-15-12-8-10(14)2-3-11(12)13/h2-3,8-9,16H,4-7H2,1H3;2-5,11H,6-10H2,1H3,(H,15,18);2-5,12,15H,6-11H2,1H3;2-5,11,13,15H,6-10H2,1H3;2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one?
1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 1443.85 g/mol, XLogP of 7.44, 9 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 157272677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).