3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one

C20H19F3N2O2 — CID 178162006

IUPAC3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2c(C(F)(F)F)cccc2C1(c1ccc(O)cc1)C1CCNCC1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)16-3-1-2-15-17(16)25-18(27)19(15,13-8-10-24-11-9-13)12-4-6-14(26)7-5-12/h1-7,13,24,26H,8-11H2,(H,25,27)
InChIKeyCNJAXLTWFUSVAB-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.65
Rot. Bonds2

About 3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one

3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one (PubChem CID 178162006) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one
PubChem CID178162006
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2c(C(F)(F)F)cccc2C1(c1ccc(O)cc1)C1CCNCC1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)16-3-1-2-15-17(16)25-18(27)19(15,13-8-10-24-11-9-13)12-4-6-14(26)7-5-12/h1-7,13,24,26H,8-11H2,(H,25,27)
InChIKeyCNJAXLTWFUSVAB-UHFFFAOYSA-N
XLogP3.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopropylethynyl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1H-indol-2-one
CID 172554055
3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1H-indol-2-one
CID 172554047
7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one
CID 25062385
3-(4-hydroxyphenyl)-3-pentyl-7-(trifluoromethyl)-1H-indol-2-one
CID 178161957
3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
CID 25061846
3-(3,3-diaminohept-6-ynyl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1H-indol-2-one
CID 178161960
(3S)-3-(4-hydroxyphenyl)-3-[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-7-(trifluoromethyl)-1H-indol-2-one
CID 166727499
3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one;3-(cyclopentylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 160951688
7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
CID 2221771
3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 71057079
3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;6-fluoro-3-(4-hydroxyphenyl)-7-methyl-3-pentyl-1H-indol-2-one
CID 159355444
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one
CID 169099340

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one (CID 178162006) is 3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2c(C(F)(F)F)cccc2C1(c1ccc(O)cc1)C1CCNCC1.
What is the InChIKey of 3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is CNJAXLTWFUSVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)16-3-1-2-15-17(16)25-18(27)19(15,13-8-10-24-11-9-13)12-4-6-14(26)7-5-12/h1-7,13,24,26H,8-11H2,(H,25,27).
What are the key properties of 3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one?
3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 376.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 178162006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).