1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone

C90H116F4N14O8S2 — CID 159882926

IUPAC1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3c2CCCC3)CC1.CC(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3c2CCCC3)CC1.CC(=O)N1CCN(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCN(Cc2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C16H19FN2O.C15H18FN3O.C15H19FN2O2S.C15H22N2O.C15H20N2O.C14H18FN3O2S/c1-11(20)19-6-4-12(5-7-19)8-13-10-18-16-9-14(17)2-3-15(13)16;1-11(20)19-6-4-18(5-7-19)10-12-9-17-15-8-13(16)2-3-14(12)15;1-21(19,20)18-6-4-11(5-7-18)8-12-10-17-15-9-13(16)2-3-14(12)15;2*1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-21(19,20)18-6-4-17(5-7-18)10-11-9-16-14-8-12(15)2-3-13(11)14/h2-3,9-10,12,18H,4-8H2,1H3;2-3,8-9,17H,4-7,10H2,1H3;2-3,9-11,17H,4-8H2,1H3;10,12,16H,2-9H2,1H3;6,10,16H,2-5,7-9H2,1H3;2-3,8-9,16H,4-7,10H2,1H3
InChIKeyNTTIQHZRKHBPAU-UHFFFAOYSA-N
MW1662.13 g/mol
LogP14.13
Rot. Bonds12

About 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone

1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 159882926) has the molecular formula C90H116F4N14O8S2 and a molecular weight of 1662.13 g/mol. Its IUPAC name is 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID159882926
Molecular FormulaC90H116F4N14O8S2
Molecular Weight1662.13 g/mol
Exact Mass1660.85
IUPAC Name1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3c2CCCC3)CC1.CC(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3c2CCCC3)CC1.CC(=O)N1CCN(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCN(Cc2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C16H19FN2O.C15H18FN3O.C15H19FN2O2S.C15H22N2O.C15H20N2O.C14H18FN3O2S/c1-11(20)19-6-4-12(5-7-19)8-13-10-18-16-9-14(17)2-3-15(13)16;1-11(20)19-6-4-18(5-7-19)10-12-9-17-15-8-13(16)2-3-14(12)15;1-21(19,20)18-6-4-11(5-7-18)8-12-10-17-15-9-13(16)2-3-14(12)15;2*1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-21(19,20)18-6-4-17(5-7-18)10-11-9-16-14-8-12(15)2-3-13(11)14/h2-3,9-10,12,18H,4-8H2,1H3;2-3,8-9,17H,4-7,10H2,1H3;2-3,9-11,17H,4-8H2,1H3;10,12,16H,2-9H2,1H3;6,10,16H,2-5,7-9H2,1H3;2-3,8-9,16H,4-7,10H2,1H3
InChIKeyNTTIQHZRKHBPAU-UHFFFAOYSA-N
XLogP14.13
TPSA257.22 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001662.13
LogP ≤ 514.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone (CID 159882926) is 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3c2CCCC3)CC1.CC(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3c2CCCC3)CC1.CC(=O)N1CCN(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCN(Cc2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is NTTIQHZRKHBPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O.C15H18FN3O.C15H19FN2O2S.C15H22N2O.C15H20N2O.C14H18FN3O2S/c1-11(20)19-6-4-12(5-7-19)8-13-10-18-16-9-14(17)2-3-15(13)16;1-11(20)19-6-4-18(5-7-19)10-12-9-17-15-8-13(16)2-3-14(12)15;1-21(19,20)18-6-4-11(5-7-18)8-12-10-17-15-9-13(16)2-3-14(12)15;2*1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-21(19,20)18-6-4-17(5-7-18)10-11-9-16-14-8-12(15)2-3-13(11)14/h2-3,9-10,12,18H,4-8H2,1H3;2-3,8-9,17H,4-7,10H2,1H3;2-3,9-11,17H,4-8H2,1H3;10,12,16H,2-9H2,1H3;6,10,16H,2-5,7-9H2,1H3;2-3,8-9,16H,4-7,10H2,1H3.
What are the key properties of 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone?
1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 1662.13 g/mol, XLogP of 14.13, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;6-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 159882926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).