4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C76H86F3N9O9S2 — CID 162228341

IUPAC4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.O=S(=O)(N1CCOCC1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H24N2O2.C21H24N2O3S.C17H23N3O3S.C16H15F3N2O/c1-16(25)24-11-9-18(10-12-24)21-14-23-22-13-19(7-8-20(21)22)26-15-17-5-3-2-4-6-17;1-27(24,25)23-11-9-17(10-12-23)20-14-22-21-13-18(7-8-19(20)21)26-15-16-5-3-2-4-6-16;21-24(22,20-9-11-23-12-10-20)19-7-5-14(6-8-19)16-13-18-17-4-2-1-3-15(16)17;1-10(22)21-6-4-11(5-7-21)14-9-20-15-8-12(16(17,18)19)2-3-13(14)15/h2-8,13-14,18,23H,9-12,15H2,1H3;2-8,13-14,17,22H,9-12,15H2,1H3;1-4,13-14,18H,5-12H2;2-4,8-9,20H,5-7H2,1H3
InChIKeyZVBKHQKQSCUMIQ-UHFFFAOYSA-N
MW1390.71 g/mol
LogP14.11
Rot. Bonds13

About 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 162228341) has the molecular formula C76H86F3N9O9S2 and a molecular weight of 1390.71 g/mol. Its IUPAC name is 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID162228341
Molecular FormulaC76H86F3N9O9S2
Molecular Weight1390.71 g/mol
Exact Mass1389.59
IUPAC Name4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.O=S(=O)(N1CCOCC1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H24N2O2.C21H24N2O3S.C17H23N3O3S.C16H15F3N2O/c1-16(25)24-11-9-18(10-12-24)21-14-23-22-13-19(7-8-20(21)22)26-15-17-5-3-2-4-6-17;1-27(24,25)23-11-9-17(10-12-23)20-14-22-21-13-18(7-8-19(20)21)26-15-16-5-3-2-4-6-16;21-24(22,20-9-11-23-12-10-20)19-7-5-14(6-8-19)16-13-18-17-4-2-1-3-15(16)17;1-10(22)21-6-4-11(5-7-21)14-9-20-15-8-12(16(17,18)19)2-3-13(14)15/h2-8,13-14,18,23H,9-12,15H2,1H3;2-8,13-14,17,22H,9-12,15H2,1H3;1-4,13-14,18H,5-12H2;2-4,8-9,20H,5-7H2,1H3
InChIKeyZVBKHQKQSCUMIQ-UHFFFAOYSA-N
XLogP14.11
TPSA209.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001390.71
LogP ≤ 514.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

4-Tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157594468
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide
CID 157725617
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide
CID 159517164
1-[4-(6-cyclopentyl-1H-indol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole
CID 159860804
3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 159971534
[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-sulfonamide;methyl-methylidene-oxo-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]-lambda6-sulfane;methyl-methylidene-oxo-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-lambda6-sulfane
CID 160195543
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
CID 161718517
N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone
CID 162178082
3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 162208960
1-[4-[6-[2-(dimethylamino)ethoxy]-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-[6-[2-(dimethylamino)ethoxy]-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]ethanone
CID 134387719
(1R,3R)-1-[4-(1-butylazetidin-3-yl)oxy-2,6-difluorophenyl]-3-methyl-2-methylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(1R,3R)-1-[2,6-difluoro-4-[(2S)-2-[3-(1-fluoroethyl)azetidin-1-yl]propoxy]phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;[(1R,3R)-1-[4-[2-(3-ethylazetidin-1-yl)ethoxy]-2,6-difluorophenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-fluorocyclobutyl)methanone;(1R,3R)-2-(2-fluoro-2-methylpropyl)-1-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 157061289
N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide
CID 157124003

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 162228341) is 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.O=S(=O)(N1CCOCC1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is ZVBKHQKQSCUMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2.C21H24N2O3S.C17H23N3O3S.C16H15F3N2O/c1-16(25)24-11-9-18(10-12-24)21-14-23-22-13-19(7-8-20(21)22)26-15-17-5-3-2-4-6-17;1-27(24,25)23-11-9-17(10-12-23)20-14-22-21-13-18(7-8-19(20)21)26-15-16-5-3-2-4-6-16;21-24(22,20-9-11-23-12-10-20)19-7-5-14(6-8-19)16-13-18-17-4-2-1-3-15(16)17;1-10(22)21-6-4-11(5-7-21)14-9-20-15-8-12(16(17,18)19)2-3-13(14)15/h2-8,13-14,18,23H,9-12,15H2,1H3;2-8,13-14,17,22H,9-12,15H2,1H3;1-4,13-14,18H,5-12H2;2-4,8-9,20H,5-7H2,1H3.
What are the key properties of 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 1390.71 g/mol, XLogP of 14.11, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 162228341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).