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

C78H97FN10O12S2 — CID 158841071

IUPAC1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
SMILESCC(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CS(=O)(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO
InChIInChI=1S/C16H17FN2O2.2C16H20N2O2.2C15H20N2O3S/c1-10(20)19-6-4-11(5-7-19)16(21)14-9-18-15-8-12(17)2-3-13(14)15;1-12(20)18-8-6-16(11-19,7-9-18)14-10-17-15-5-3-2-4-13(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;1-21(19,20)17-8-6-15(11-18,7-9-17)13-10-16-14-5-3-2-4-12(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/h2-3,8-9,11,18H,4-7H2,1H3;2-5,10,17,19H,6-9,11H2,1H3;2-5,9,12-13,17,19H,6-8,10H2,1H3;2-5,10,16,18H,6-9,11H2,1H3;2-5,9,11-12,16,18H,6-8,10H2,1H3
InChIKeyIYGFHOPAHSBCIS-UHFFFAOYSA-N
MW1449.82 g/mol
LogP10.16
Rot. Bonds12

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

1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol (PubChem CID 158841071) has the molecular formula C78H97FN10O12S2 and a molecular weight of 1449.82 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
PubChem CID158841071
Molecular FormulaC78H97FN10O12S2
Molecular Weight1449.82 g/mol
Exact Mass1448.67
IUPAC Name1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
SMILESCC(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CS(=O)(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO
InChIInChI=1S/C16H17FN2O2.2C16H20N2O2.2C15H20N2O3S/c1-10(20)19-6-4-11(5-7-19)16(21)14-9-18-15-8-12(17)2-3-13(14)15;1-12(20)18-8-6-16(11-19,7-9-18)14-10-17-15-5-3-2-4-13(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;1-21(19,20)17-8-6-15(11-18,7-9-17)13-10-16-14-5-3-2-4-12(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/h2-3,8-9,11,18H,4-7H2,1H3;2-5,10,17,19H,6-9,11H2,1H3;2-5,9,12-13,17,19H,6-8,10H2,1H3;2-5,10,16,18H,6-9,11H2,1H3;2-5,9,11-12,16,18H,6-8,10H2,1H3
InChIKeyIYGFHOPAHSBCIS-UHFFFAOYSA-N
XLogP10.16
TPSA312.63 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001449.82
LogP ≤ 510.16
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

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

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Related Compounds

lithium;sodium;[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol;[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanone;5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;sulfur dioxide;hydroxide;hydrochloride
CID 157335068
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
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
1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
CID 157659824
1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
CID 158169763
1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-ol
CID 158480044
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;7-(1H-indol-3-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-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 158524891
1-[2-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine
CID 158566524
1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N,N-dimethylmethanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
CID 158760829
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;2-(1H-indol-3-yl)-7-methyl-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 158995883
1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one
CID 159029919
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol?
The IUPAC name of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol (CID 158841071) is 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol?
The canonical SMILES for 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol is CC(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.CS(=O)(=O)N1CCC(CO)(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.
What is the InChIKey of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol?
The InChIKey is IYGFHOPAHSBCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2.2C16H20N2O2.2C15H20N2O3S/c1-10(20)19-6-4-11(5-7-19)16(21)14-9-18-15-8-12(17)2-3-13(14)15;1-12(20)18-8-6-16(11-19,7-9-18)14-10-17-15-5-3-2-4-13(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;1-21(19,20)17-8-6-15(11-18,7-9-17)13-10-16-14-5-3-2-4-12(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/h2-3,8-9,11,18H,4-7H2,1H3;2-5,10,17,19H,6-9,11H2,1H3;2-5,9,12-13,17,19H,6-8,10H2,1H3;2-5,10,16,18H,6-9,11H2,1H3;2-5,9,11-12,16,18H,6-8,10H2,1H3.
What are the key properties of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol?
1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol has a molecular weight of 1449.82 g/mol, XLogP of 10.16, 12 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 158841071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).