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

C69H89F2N13O8S3 — CID 162009546

IUPAC1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole
SMILESCC(=O)N1CCC(C2CNc3ccccc32)CC1.CC(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C2CNc3ccccc32)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H20N2O.C14H16FN3O.C14H20N2O2S.C13H16FN3O2S.C13H17N3O2S/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-10(19)17-4-6-18(7-5-17)14-9-16-13-8-11(15)2-3-12(13)14;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;1-19(17,18)16-8-6-15(7-9-16)13-10-14-12-5-3-2-4-11(12)13/h2-5,12,14,16H,6-10H2,1H3;2-3,8-9,16H,4-7H2,1H3;2-5,11,13,15H,6-10H2,1H3;2-3,8-9,15H,4-7H2,1H3;2-5,10,14H,6-9H2,1H3
InChIKeyYTHCODWCGPVGIV-UHFFFAOYSA-N
MW1362.75 g/mol
LogP8.94
Rot. Bonds8

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

1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole (PubChem CID 162009546) has the molecular formula C69H89F2N13O8S3 and a molecular weight of 1362.75 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole
PubChem CID162009546
Molecular FormulaC69H89F2N13O8S3
Molecular Weight1362.75 g/mol
Exact Mass1361.61
IUPAC Name1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole
SMILESCC(=O)N1CCC(C2CNc3ccccc32)CC1.CC(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C2CNc3ccccc32)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H20N2O.C14H16FN3O.C14H20N2O2S.C13H16FN3O2S.C13H17N3O2S/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-10(19)17-4-6-18(7-5-17)14-9-16-13-8-11(15)2-3-12(13)14;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;1-19(17,18)16-8-6-15(7-9-16)13-10-14-12-5-3-2-4-11(12)13/h2-5,12,14,16H,6-10H2,1H3;2-3,8-9,16H,4-7H2,1H3;2-5,11,13,15H,6-10H2,1H3;2-3,8-9,15H,4-7H2,1H3;2-5,10,14H,6-9H2,1H3
InChIKeyYTHCODWCGPVGIV-UHFFFAOYSA-N
XLogP8.94
TPSA233.91 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001362.75
LogP ≤ 58.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

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

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Related Compounds

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(PHEN)3-LiTFSI
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5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
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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
4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indole;4-(1H-indol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indol-4-yl)piperazine-1-sulfonamide;4-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]-1H-indole
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Tris(iridium);methanol;9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;bis(9-(4-methyl-6-phenyl-3-pyridinyl)carbazole);tetrakis(2-phenylpyridine);trifluoromethanesulfonic acid
CID 157973211
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
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1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159071231
3-(1-acetylpiperidin-4-yl)-1H-indole-5-carbonitrile;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159121753
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
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1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;6-chloro-5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;6-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159222337

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole (CID 162009546) is 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole is CC(=O)N1CCC(C2CNc3ccccc32)CC1.CC(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C2CNc3ccccc32)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is YTHCODWCGPVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.C14H16FN3O.C14H20N2O2S.C13H16FN3O2S.C13H17N3O2S/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-10(19)17-4-6-18(7-5-17)14-9-16-13-8-11(15)2-3-12(13)14;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;1-19(17,18)16-8-6-15(7-9-16)13-10-14-12-5-3-2-4-11(12)13/h2-5,12,14,16H,6-10H2,1H3;2-3,8-9,16H,4-7H2,1H3;2-5,11,13,15H,6-10H2,1H3;2-3,8-9,15H,4-7H2,1H3;2-5,10,14H,6-9H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 1362.75 g/mol, XLogP of 8.94, 8 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 162009546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).