3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione

C15H20N2O3 — CID 64970204

IUPAC3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2ccc(OC)cc2C)C1=O
InChIInChI=1S/C15H20N2O3/c1-5-12-15(19)17(10(3)14(18)16-12)13-7-6-11(20-4)8-9(13)2/h6-8,10,12H,5H2,1-4H3,(H,16,18)
InChIKeyZGNAAECNEYRRFA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.63
Rot. Bonds3

About 3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione

3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64970204) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
PubChem CID64970204
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2ccc(OC)cc2C)C1=O
InChIInChI=1S/C15H20N2O3/c1-5-12-15(19)17(10(3)14(18)16-12)13-7-6-11(20-4)8-9(13)2/h6-8,10,12H,5H2,1-4H3,(H,16,18)
InChIKeyZGNAAECNEYRRFA-UHFFFAOYSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64955852
3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902779
1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64961796
1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64959643
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107608196
1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64956799
1-(3-ethoxyphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64966817
1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 102807639
1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64957775
1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64956453
3-ethyl-6-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
CID 107587018
1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962036

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione (CID 64970204) is 3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)N(c2ccc(OC)cc2C)C1=O.
What is the InChIKey of 3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is ZGNAAECNEYRRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-12-15(19)17(10(3)14(18)16-12)13-7-6-11(20-4)8-9(13)2/h6-8,10,12H,5H2,1-4H3,(H,16,18).
What are the key properties of 3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione?
3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64970204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).