1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one

C13H17NO4 — CID 117013938

IUPAC1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one
SMILESCOc1ccc(OC)c(N2CC(O)CCC2=O)c1
InChIInChI=1S/C13H17NO4/c1-17-10-4-5-12(18-2)11(7-10)14-8-9(15)3-6-13(14)16/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyFOSDDVXCXXUJGH-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.19
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one

1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one (PubChem CID 117013938) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one
PubChem CID117013938
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one
SMILESCOc1ccc(OC)c(N2CC(O)CCC2=O)c1
InChIInChI=1S/C13H17NO4/c1-17-10-4-5-12(18-2)11(7-10)14-8-9(15)3-6-13(14)16/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyFOSDDVXCXXUJGH-UHFFFAOYSA-N
XLogP1.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one
CID 168702287
(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386
methyl 1-[(3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9396744
(3S)-N-[(1R)-1-cyclopropylethyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30838843
(7-methoxynaphthalen-2-yl) 1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 43059713
dimethyl 5-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 17187473
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9395060
(3S)-1-(2,5-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94022838

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one (CID 117013938) is 1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one is COc1ccc(OC)c(N2CC(O)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one?
The InChIKey is FOSDDVXCXXUJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-10-4-5-12(18-2)11(7-10)14-8-9(15)3-6-13(14)16/h4-5,7,9,15H,3,6,8H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one?
1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one has a molecular weight of 251.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one is sourced from PubChem (CID 117013938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).