1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione

C13H16N2O3 — CID 117026421

IUPAC1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
SMILESCCOc1ccc(N2CCN(C)C(=O)C2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-3-18-11-6-4-10(5-7-11)15-9-8-14(2)12(16)13(15)17/h4-7H,3,8-9H2,1-2H3
InChIKeyMPEWTGKCOJDEPB-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.89
Rot. Bonds3

About 1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione

1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione (PubChem CID 117026421) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
PubChem CID117026421
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
SMILESCCOc1ccc(N2CCN(C)C(=O)C2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-3-18-11-6-4-10(5-7-11)15-9-8-14(2)12(16)13(15)17/h4-7H,3,8-9H2,1-2H3
InChIKeyMPEWTGKCOJDEPB-UHFFFAOYSA-N
XLogP0.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione
CID 117026424
1-[4-(2-aminoethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117370701
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117373475
1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one
CID 117014032
1-[4-(2-aminooxyethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117412529
1-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 2848649
6-(4-ethoxyphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione
CID 78369485
(1R,2S,6R,7S)-4-(4-ethoxyphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 11880247
4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one
CID 142243536
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
1-(4-ethoxyphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64956406
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713785

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione (CID 117026421) is 1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione is CCOc1ccc(N2CCN(C)C(=O)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione?
The InChIKey is MPEWTGKCOJDEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-18-11-6-4-10(5-7-11)15-9-8-14(2)12(16)13(15)17/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione?
1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione has a molecular weight of 248.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 117026421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).