3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one

C72H88FN13O10S3 — CID 158092560

IUPAC3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)C(O)C1.Cc1ccc2c(c1)C(C1CCN(S(C)(=O)=O)CC1)C(=O)N2.Cc1nc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)no1.O=C1CCCN(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H17FN4O.C15H20N2O3S.C14H19N3O2S.C14H18N2O3S.C13H14N2O/c1-10-19-16(20-22-10)21-6-4-11(5-7-21)14-9-18-15-8-12(17)2-3-13(14)15;1-10-3-4-13-12(9-10)14(15(18)16-13)11-5-7-17(8-6-11)21(2,19)20;1-11-10-16(7-8-17(11)20(2,18)19)14-9-15-13-6-4-3-5-12(13)14;1-20(18,19)16-7-6-11(14(17)9-16)12-8-15-13-5-3-2-4-10(12)13;16-10-4-3-7-15(9-10)13-8-14-12-6-2-1-5-11(12)13/h2-3,8-9,11,18H,4-7H2,1H3;3-4,9,11,14H,5-8H2,1-2H3,(H,16,18);3-6,9,11,15H,7-8,10H2,1-2H3;2-5,8,11,14-15,17H,6-7,9H2,1H3;1-2,5-6,8,14H,3-4,7,9H2
InChIKeyFOGZQXDWKQMLBP-UHFFFAOYSA-N
MW1410.78 g/mol
LogP10.34
Rot. Bonds9

About 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one

3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 158092560) has the molecular formula C72H88FN13O10S3 and a molecular weight of 1410.78 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one
PubChem CID158092560
Molecular FormulaC72H88FN13O10S3
Molecular Weight1410.78 g/mol
Exact Mass1409.59
IUPAC Name3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)C(O)C1.Cc1ccc2c(c1)C(C1CCN(S(C)(=O)=O)CC1)C(=O)N2.Cc1nc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)no1.O=C1CCCN(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H17FN4O.C15H20N2O3S.C14H19N3O2S.C14H18N2O3S.C13H14N2O/c1-10-19-16(20-22-10)21-6-4-11(5-7-21)14-9-18-15-8-12(17)2-3-13(14)15;1-10-3-4-13-12(9-10)14(15(18)16-13)11-5-7-17(8-6-11)21(2,19)20;1-11-10-16(7-8-17(11)20(2,18)19)14-9-15-13-6-4-3-5-12(13)14;1-20(18,19)16-7-6-11(14(17)9-16)12-8-15-13-5-3-2-4-10(12)13;16-10-4-3-7-15(9-10)13-8-14-12-6-2-1-5-11(12)13/h2-3,8-9,11,18H,4-7H2,1H3;3-4,9,11,14H,5-8H2,1-2H3,(H,16,18);3-6,9,11,15H,7-8,10H2,1-2H3;2-5,8,11,14-15,17H,6-7,9H2,1H3;1-2,5-6,8,14H,3-4,7,9H2
InChIKeyFOGZQXDWKQMLBP-UHFFFAOYSA-N
XLogP10.34
TPSA290.34 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001410.78
LogP ≤ 510.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;6-fluoro-3-(1-methylsulfonylazepan-4-yl)-1H-indole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one
CID 157139149
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
3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one
CID 157870043
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
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
3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;5-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-methyl-1,2,4-oxadiazole;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one
CID 159931103

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one (CID 158092560) is 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one is CC1CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)C(O)C1.Cc1ccc2c(c1)C(C1CCN(S(C)(=O)=O)CC1)C(=O)N2.Cc1nc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)no1.O=C1CCCN(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is FOGZQXDWKQMLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O.C15H20N2O3S.C14H19N3O2S.C14H18N2O3S.C13H14N2O/c1-10-19-16(20-22-10)21-6-4-11(5-7-21)14-9-18-15-8-12(17)2-3-13(14)15;1-10-3-4-13-12(9-10)14(15(18)16-13)11-5-7-17(8-6-11)21(2,19)20;1-11-10-16(7-8-17(11)20(2,18)19)14-9-15-13-6-4-3-5-12(13)14;1-20(18,19)16-7-6-11(14(17)9-16)12-8-15-13-5-3-2-4-10(12)13;16-10-4-3-7-15(9-10)13-8-14-12-6-2-1-5-11(12)13/h2-3,8-9,11,18H,4-7H2,1H3;3-4,9,11,14H,5-8H2,1-2H3,(H,16,18);3-6,9,11,15H,7-8,10H2,1-2H3;2-5,8,11,14-15,17H,6-7,9H2,1H3;1-2,5-6,8,14H,3-4,7,9H2.
What are the key properties of 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one?
3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 1410.78 g/mol, XLogP of 10.34, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-methyl-1,2,4-oxadiazole;4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-3-ol;1-(1H-indol-3-yl)piperidin-3-one;3-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;5-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 158092560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).