5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one

C28H30N2O3 — CID 23087243

IUPAC5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3ccc(O)cc3Nc3ccc(OCCN4CCCCC4)cc3)ccc21
InChIInChI=1S/C28H30N2O3/c31-23-8-12-25(20-4-11-26-21(18-20)5-13-28(26)32)27(19-23)29-22-6-9-24(10-7-22)33-17-16-30-14-2-1-3-15-30/h4,6-12,18-19,29,31H,1-3,5,13-17H2
InChIKeyHGSZZBMXLHIMBI-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.80
Rot. Bonds7

About 5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one

5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one (PubChem CID 23087243) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one
PubChem CID23087243
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3ccc(O)cc3Nc3ccc(OCCN4CCCCC4)cc3)ccc21
InChIInChI=1S/C28H30N2O3/c31-23-8-12-25(20-4-11-26-21(18-20)5-13-28(26)32)27(19-23)29-22-6-9-24(10-7-22)33-17-16-30-14-2-1-3-15-30/h4,6-12,18-19,29,31H,1-3,5,13-17H2
InChIKeyHGSZZBMXLHIMBI-UHFFFAOYSA-N
XLogP5.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one
CID 11504179
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride
CID 69436628
[6-hydroxy-2-(4-hydroxyphenyl)-1-oxo-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 67725962
[6-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 18182717
5-[5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pentoxy]-2,3-dihydroinden-1-one
CID 69171676
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
CID 68950038
[8-hydroxy-3-(4-hydroxyphenyl)-6H-isoindolo[2,1-a]indol-11-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 139932268
(1Z)-1-[hydroxy-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-3,4-dihydronaphthalen-2-one
CID 10270079
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-thiophen-3-ylnaphthalen-2-ol
CID 58338597
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965

Frequently Asked Questions

What is the IUPAC name of 5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one (CID 23087243) is 5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3ccc(O)cc3Nc3ccc(OCCN4CCCCC4)cc3)ccc21.
What is the InChIKey of 5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one?
The InChIKey is HGSZZBMXLHIMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c31-23-8-12-25(20-4-11-26-21(18-20)5-13-28(26)32)27(19-23)29-22-6-9-24(10-7-22)33-17-16-30-14-2-1-3-15-30/h4,6-12,18-19,29,31H,1-3,5,13-17H2.
What are the key properties of 5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one?
5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one has a molecular weight of 442.56 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-2-[4-(2-piperidin-1-ylethoxy)anilino]phenyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 23087243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).