1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole

C72H87F2N11O9S4 — CID 157329521

IUPAC1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
SMILESCC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.Cc1[nH]c2ccccc2c1C1=CCN(S(C)(=O)=O)CC1.Cc1[nH]c2ccccc2c1C1CCN(S(C)(=O)=O)CC1.NS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H17FN2O.C15H20N2O2S.C15H18N2O2S.C14H17FN2O2S.C13H15N3O2S/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;2*1-11-15(13-5-3-4-6-14(13)16-11)12-7-9-17(10-8-12)20(2,18)19;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;14-19(17,18)16-7-5-10(6-8-16)12-9-15-13-4-2-1-3-11(12)13/h2-3,8-9,11,17H,4-7H2,1H3;3-6,12,16H,7-10H2,1-2H3;3-7,16H,8-10H2,1-2H3;2-3,8-10,16H,4-7H2,1H3;1-5,9,15H,6-8H2,(H2,14,17,18)
InChIKeyBFCURLAIDMEAGL-UHFFFAOYSA-N
MW1416.82 g/mol
LogP12.08
Rot. Bonds9

About 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole

1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 157329521) has the molecular formula C72H87F2N11O9S4 and a molecular weight of 1416.82 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
PubChem CID157329521
Molecular FormulaC72H87F2N11O9S4
Molecular Weight1416.82 g/mol
Exact Mass1415.55
IUPAC Name1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
SMILESCC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.Cc1[nH]c2ccccc2c1C1=CCN(S(C)(=O)=O)CC1.Cc1[nH]c2ccccc2c1C1CCN(S(C)(=O)=O)CC1.NS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H17FN2O.C15H20N2O2S.C15H18N2O2S.C14H17FN2O2S.C13H15N3O2S/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;2*1-11-15(13-5-3-4-6-14(13)16-11)12-7-9-17(10-8-12)20(2,18)19;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;14-19(17,18)16-7-5-10(6-8-16)12-9-15-13-4-2-1-3-11(12)13/h2-3,8-9,11,17H,4-7H2,1H3;3-6,12,16H,7-10H2,1-2H3;3-7,16H,8-10H2,1-2H3;2-3,8-10,16H,4-7H2,1H3;1-5,9,15H,6-8H2,(H2,14,17,18)
InChIKeyBFCURLAIDMEAGL-UHFFFAOYSA-N
XLogP12.08
TPSA274.80 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001416.82
LogP ≤ 512.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole with MolForge

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Launch Full Analysis

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
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
N-[2-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-methylsulfonylmethanesulfonamide
CID 58617705
N-[2-[1-[3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-methylsulfonylmethanesulfonamide
CID 76839754
N-[3-[(3S,4S)-1-[3-[[3-[(3R,4R)-1-[3-[[3-[(3R,4R)-1-[(2R)-2-cyclopentylpropanoyl]-3-methylpiperidin-4-yl]-5-[(4-fluorophenyl)sulfonylamino]indol-1-yl]methyl]cyclopentanecarbonyl]-3-methylpiperidin-4-yl]-5-[(4-fluorophenyl)sulfonylamino]indol-1-yl]methyl]cyclopentanecarbonyl]-3-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 139417766
5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
CID 157145350

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole (CID 157329521) is 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole is CC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.Cc1[nH]c2ccccc2c1C1=CCN(S(C)(=O)=O)CC1.Cc1[nH]c2ccccc2c1C1CCN(S(C)(=O)=O)CC1.NS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The InChIKey is BFCURLAIDMEAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O.C15H20N2O2S.C15H18N2O2S.C14H17FN2O2S.C13H15N3O2S/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;2*1-11-15(13-5-3-4-6-14(13)16-11)12-7-9-17(10-8-12)20(2,18)19;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;14-19(17,18)16-7-5-10(6-8-16)12-9-15-13-4-2-1-3-11(12)13/h2-3,8-9,11,17H,4-7H2,1H3;3-6,12,16H,7-10H2,1-2H3;3-7,16H,8-10H2,1-2H3;2-3,8-10,16H,4-7H2,1H3;1-5,9,15H,6-8H2,(H2,14,17,18).
What are the key properties of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 1416.82 g/mol, XLogP of 12.08, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 157329521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).