1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione

C13H16N2O3 — CID 117373475

IUPAC1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(c2ccc(CCO)cc2)C(=O)C1=O
InChIInChI=1S/C13H16N2O3/c1-14-7-8-15(13(18)12(14)17)11-4-2-10(3-5-11)6-9-16/h2-5,16H,6-9H2,1H3
InChIKeyBZOSPSLZEXALDG-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.03
Rot. Bonds3

About 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione

1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione (PubChem CID 117373475) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione
PubChem CID117373475
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(c2ccc(CCO)cc2)C(=O)C1=O
InChIInChI=1S/C13H16N2O3/c1-14-7-8-15(13(18)12(14)17)11-4-2-10(3-5-11)6-9-16/h2-5,16H,6-9H2,1H3
InChIKeyBZOSPSLZEXALDG-UHFFFAOYSA-N
XLogP0.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-aminoethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117370701
1-[4-(2-aminooxyethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117412529
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117373479
4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one
CID 117340746
1-methyl-4-[4-(piperidin-4-ylmethyl)phenyl]piperazine-2,3-dione
CID 117485669
1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
CID 117026421
4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one
CID 142243536
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione
CID 117026424
1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
CID 166947284
4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 82514270
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one
CID 104549227

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione (CID 117373475) is 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione is CN1CCN(c2ccc(CCO)cc2)C(=O)C1=O.
What is the InChIKey of 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione?
The InChIKey is BZOSPSLZEXALDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14-7-8-15(13(18)12(14)17)11-4-2-10(3-5-11)6-9-16/h2-5,16H,6-9H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione?
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione has a molecular weight of 248.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 117373475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).