1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one

C13H15NO4 — CID 60650473

IUPAC1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one
SMILESO=C1CCN(CC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C13H15NO4/c15-9-3-5-14(6-4-9)8-13(18)11-2-1-10(16)7-12(11)17/h1-2,7,16-17H,3-6,8H2
InChIKeyGBGSEBIKDPKAER-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.95
Rot. Bonds3

About 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one

1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one (PubChem CID 60650473) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one
PubChem CID60650473
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one
SMILESO=C1CCN(CC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C13H15NO4/c15-9-3-5-14(6-4-9)8-13(18)11-2-1-10(16)7-12(11)17/h1-2,7,16-17H,3-6,8H2
InChIKeyGBGSEBIKDPKAER-UHFFFAOYSA-N
XLogP0.95
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one?
The IUPAC name of 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one (CID 60650473) is 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one is O=C1CCN(CC(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one?
The InChIKey is GBGSEBIKDPKAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-9-3-5-14(6-4-9)8-13(18)11-2-1-10(16)7-12(11)17/h1-2,7,16-17H,3-6,8H2.
What are the key properties of 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one?
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one has a molecular weight of 249.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one is sourced from PubChem (CID 60650473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).