1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol

C91H106F4N14O15S3 — CID 159086640

IUPAC1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
SMILESCC(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CC(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C16H17FN2O2.C16H20N2O2.C15H16FN3O2.C15H17FN2O3S.C15H20N2O3S.C14H16FN3O3S/c1-10(20)19-6-4-11(5-7-19)16(21)14-9-18-15-8-12(17)2-3-13(14)15;1-11(20)18-7-6-12(8-13(18)10-19)15-9-17-16-5-3-2-4-14(15)16;1-10(20)18-4-6-19(7-5-18)15(21)13-9-17-14-8-11(16)2-3-12(13)14;1-22(20,21)18-6-4-10(5-7-18)15(19)13-9-17-14-8-11(16)2-3-12(13)14;1-21(19,20)17-7-6-11(8-12(17)10-18)14-9-16-15-5-3-2-4-13(14)15;1-22(20,21)18-6-4-17(5-7-18)14(19)12-9-16-13-8-10(15)2-3-11(12)13/h2-3,8-9,11,18H,4-7H2,1H3;2-5,9,12-13,17,19H,6-8,10H2,1H3;2-3,8-9,17H,4-7H2,1H3;2-3,8-10,17H,4-7H2,1H3;2-5,9,11-12,16,18H,6-8,10H2,1H3;2-3,8-9,16H,4-7H2,1H3
InChIKeyKBNFDKAYIWHHQU-UHFFFAOYSA-N
MW1808.12 g/mol
LogP11.47
Rot. Bonds13

About 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol

1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol (PubChem CID 159086640) has the molecular formula C91H106F4N14O15S3 and a molecular weight of 1808.12 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
PubChem CID159086640
Molecular FormulaC91H106F4N14O15S3
Molecular Weight1808.12 g/mol
Exact Mass1806.71
IUPAC Name1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
SMILESCC(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CC(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C16H17FN2O2.C16H20N2O2.C15H16FN3O2.C15H17FN2O3S.C15H20N2O3S.C14H16FN3O3S/c1-10(20)19-6-4-11(5-7-19)16(21)14-9-18-15-8-12(17)2-3-13(14)15;1-11(20)18-7-6-12(8-13(18)10-19)15-9-17-16-5-3-2-4-14(15)16;1-10(20)18-4-6-19(7-5-18)15(21)13-9-17-14-8-11(16)2-3-12(13)14;1-22(20,21)18-6-4-10(5-7-18)15(19)13-9-17-14-8-11(16)2-3-12(13)14;1-21(19,20)17-7-6-11(8-12(17)10-18)14-9-16-15-5-3-2-4-13(14)15;1-22(20,21)18-6-4-17(5-7-18)14(19)12-9-16-13-8-10(15)2-3-11(12)13/h2-3,8-9,11,18H,4-7H2,1H3;2-5,9,12-13,17,19H,6-8,10H2,1H3;2-3,8-9,17H,4-7H2,1H3;2-3,8-10,17H,4-7H2,1H3;2-5,9,11-12,16,18H,6-8,10H2,1H3;2-3,8-9,16H,4-7H2,1H3
InChIKeyKBNFDKAYIWHHQU-UHFFFAOYSA-N
XLogP11.47
TPSA383.03 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001808.12
LogP ≤ 511.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

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

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Related Compounds

bis((7S)-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide);(7S)-N-[[1-(2-hydroxypropanoyl)piperidin-4-yl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;methyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]pyrrolidine-1-carboxylate;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 157663042
bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one
CID 158252746
CID 159016742
CID 159016742
(7S)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-7-benzyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-7-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1S,2S)-1-(4-ethylsulfonylphenyl)-2-hydroxypropyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 159147309
(7S)-N-[(1-acetylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;bis((7S)-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide);(7S)-N-[[1-(2-hydroxypropanoyl)piperidin-4-yl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;(7S)-N-[(1-propanoylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 159412047
(7S)-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-ethylsulfonylpyrrolidin-3-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]pyrrolidine-1-carboxylate;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 159617661
bis((7S)-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide);(7S)-N-[[1-(2-hydroxypropanoyl)piperidin-4-yl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 159623051
ethyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate
CID 157096597
3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;2-(1H-indol-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;4-(1H-indol-3-yl)-1-methylpiperazin-2-one;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one
CID 157440378
N-(2-aminoethyl)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-[(2S)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;7-tert-butyl-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide
CID 157487401
1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
CID 157507933
N-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]acetamide;N-[4-fluoro-3-[2-[(4E)-4-[isocyano(phenyl)methylidene]-2-methylpiperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;bis(N-[4-fluoro-3-[2-[4-[isocyano(phenyl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide);N-[4-fluoro-3-[2-[4-[isocyano(pyridin-3-yl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide
CID 157539431

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol?
The IUPAC name of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol (CID 159086640) is 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol?
The canonical SMILES for 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol is CC(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CC(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol?
The InChIKey is KBNFDKAYIWHHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2.C16H20N2O2.C15H16FN3O2.C15H17FN2O3S.C15H20N2O3S.C14H16FN3O3S/c1-10(20)19-6-4-11(5-7-19)16(21)14-9-18-15-8-12(17)2-3-13(14)15;1-11(20)18-7-6-12(8-13(18)10-19)15-9-17-16-5-3-2-4-14(15)16;1-10(20)18-4-6-19(7-5-18)15(21)13-9-17-14-8-11(16)2-3-12(13)14;1-22(20,21)18-6-4-10(5-7-18)15(19)13-9-17-14-8-11(16)2-3-12(13)14;1-21(19,20)17-7-6-11(8-12(17)10-18)14-9-16-15-5-3-2-4-13(14)15;1-22(20,21)18-6-4-17(5-7-18)14(19)12-9-16-13-8-10(15)2-3-11(12)13/h2-3,8-9,11,18H,4-7H2,1H3;2-5,9,12-13,17,19H,6-8,10H2,1H3;2-3,8-9,17H,4-7H2,1H3;2-3,8-10,17H,4-7H2,1H3;2-5,9,11-12,16,18H,6-8,10H2,1H3;2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol?
1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol has a molecular weight of 1808.12 g/mol, XLogP of 11.47, 13 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 159086640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).