3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole

C70H89F2N13O8S2 — CID 159044432

IUPAC3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole
SMILESCC(=O)N1CCC(C2CNc3ccccc32)CC1.CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)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
InChIInChI=1S/C15H20N2O.C14H16FN3O.C14H17N3O2.C14H20N2O2S.C13H16FN3O2S/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;1-10(18)16-8-6-11(7-9-16)17-13-5-3-2-4-12(13)15-14(17)19;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/h2-5,12,14,16H,6-10H2,1H3;2-3,8-9,16H,4-7H2,1H3;2-5,11H,6-9H2,1H3,(H,15,19);2-5,11,13,15H,6-10H2,1H3;2-3,8-9,15H,4-7H2,1H3
InChIKeyJWLYRTLDBULWCR-UHFFFAOYSA-N
MW1342.69 g/mol
LogP9.20
Rot. Bonds7

About 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole

3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole (PubChem CID 159044432) has the molecular formula C70H89F2N13O8S2 and a molecular weight of 1342.69 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole
PubChem CID159044432
Molecular FormulaC70H89F2N13O8S2
Molecular Weight1342.69 g/mol
Exact Mass1341.64
IUPAC Name3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole
SMILESCC(=O)N1CCC(C2CNc3ccccc32)CC1.CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)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
InChIInChI=1S/C15H20N2O.C14H16FN3O.C14H17N3O2.C14H20N2O2S.C13H16FN3O2S/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;1-10(18)16-8-6-11(7-9-16)17-13-5-3-2-4-12(13)15-14(17)19;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/h2-5,12,14,16H,6-10H2,1H3;2-3,8-9,16H,4-7H2,1H3;2-5,11H,6-9H2,1H3,(H,15,19);2-5,11,13,15H,6-10H2,1H3;2-3,8-9,15H,4-7H2,1H3
InChIKeyJWLYRTLDBULWCR-UHFFFAOYSA-N
XLogP9.20
TPSA235.60 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001342.69
LogP ≤ 59.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole 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
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 157650926
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
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 160113901
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperazin-1-ylpropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylpropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine
CID 160270074
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
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine
CID 160598680

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole (CID 159044432) is 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole is CC(=O)N1CCC(C2CNc3ccccc32)CC1.CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)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.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is JWLYRTLDBULWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.C14H16FN3O.C14H17N3O2.C14H20N2O2S.C13H16FN3O2S/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;1-10(18)16-8-6-11(7-9-16)17-13-5-3-2-4-12(13)15-14(17)19;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/h2-5,12,14,16H,6-10H2,1H3;2-3,8-9,16H,4-7H2,1H3;2-5,11H,6-9H2,1H3,(H,15,19);2-5,11,13,15H,6-10H2,1H3;2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 1342.69 g/mol, XLogP of 9.20, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one;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-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 159044432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).