1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C73H82F2N10O7S2 — CID 159882011

IUPAC1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cccc(F)c23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3c(F)cccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H17FN2O.C15H18N2O.C15H16N2O.C14H15FN2O2S.C14H16N2O2S/c1-10(19)18-7-5-11(6-8-18)12-9-17-14-4-2-3-13(16)15(12)14;2*1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-4,9,11,17H,5-8H2,1H3;2-5,10,12,16H,6-9H2,1H3;2-6,10,16H,7-9H2,1H3;2-5,9,16H,6-8H2,1H3;2-6,10,15H,7-9H2,1H3
InChIKeyNTQIKOITFYUDPY-UHFFFAOYSA-N
MW1313.65 g/mol
LogP13.30
Rot. Bonds7

About 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 159882011) has the molecular formula C73H82F2N10O7S2 and a molecular weight of 1313.65 g/mol. Its IUPAC name is 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID159882011
Molecular FormulaC73H82F2N10O7S2
Molecular Weight1313.65 g/mol
Exact Mass1312.58
IUPAC Name1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cccc(F)c23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3c(F)cccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H17FN2O.C15H18N2O.C15H16N2O.C14H15FN2O2S.C14H16N2O2S/c1-10(19)18-7-5-11(6-8-18)12-9-17-14-4-2-3-13(16)15(12)14;2*1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-4,9,11,17H,5-8H2,1H3;2-5,10,12,16H,6-9H2,1H3;2-6,10,16H,7-9H2,1H3;2-5,9,16H,6-8H2,1H3;2-6,10,15H,7-9H2,1H3
InChIKeyNTQIKOITFYUDPY-UHFFFAOYSA-N
XLogP13.30
TPSA214.64 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001313.65
LogP ≤ 513.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole with MolForge

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Related Compounds

CID 134145808
CID 134145808
(7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone
CID 134139429
Ilpwkwpwwpwpp-NH2
CID 16197752
Lpwkwpwwpwpp-NH2
CID 16197753
Ilpwkwpwwpwp-NH2
CID 16197754
Ilawkwawwawpp-NH2
CID 16197757
(Ilpwkwpwwpwpp)2K-NH2
CID 44395610
H-D-aIle-D-Leu-D-Pro-D-Trp-D-Lys-D-Trp-D-Pro-D-Trp-D-Trp-D-Pro-D-Trp-D-Pro-D-Pro-DL-Lys(1)-NH2.H-D-aIle-D-Leu-D-Pro-D-Trp-D-Lys-D-Trp-D-Pro-D-Trp-D-Trp-D-Pro-D-Trp-D-Pro-D-Pro-(1)
CID 44395611
Ilpwgwpwwpwpp-NH2
CID 16197755
(7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,99R,102S)-7,13,19,25,84,90,96,102-octakis(1H-indol-3-ylmethyl)-37,43,66,72-tetramethyl-10,16,22,40,69,87,93,99-octakis(2-methylpropyl)-28,31,34,49,60,75,78,81-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontone
CID 134148512
[NH2-Ile-Leu-Pro-Trp-Lys-Trp-Pro-Trp-Trp-Pro-Trp-Pro-Pro]2-Lys-NH2
CID 16197758
[(D)-(NH2-Ile-Leu-Pro-Trp-Lys-Trp-Pro-Trp-Trp-Pro-Trp-Pro-Pro)]2-(D)-Lys-NH2
CID 16197788

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 159882011) is 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cccc(F)c23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3c(F)cccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is NTQIKOITFYUDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O.C15H18N2O.C15H16N2O.C14H15FN2O2S.C14H16N2O2S/c1-10(19)18-7-5-11(6-8-18)12-9-17-14-4-2-3-13(16)15(12)14;2*1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-4,9,11,17H,5-8H2,1H3;2-5,10,12,16H,6-9H2,1H3;2-6,10,16H,7-9H2,1H3;2-5,9,16H,6-8H2,1H3;2-6,10,15H,7-9H2,1H3.
What are the key properties of 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 1313.65 g/mol, XLogP of 13.30, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 159882011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).