1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione

C15H20N2O4 — CID 64956863

IUPAC1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H20N2O4/c1-5-13-14(18)16-9(2)15(19)17(13)10-6-11(20-3)8-12(7-10)21-4/h6-9,13H,5H2,1-4H3,(H,16,18)
InChIKeyUSWMMAMLEDDNBI-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.33
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione

1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64956863) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64956863
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H20N2O4/c1-5-13-14(18)16-9(2)15(19)17(13)10-6-11(20-3)8-12(7-10)21-4/h6-9,13H,5H2,1-4H3,(H,16,18)
InChIKeyUSWMMAMLEDDNBI-UHFFFAOYSA-N
XLogP1.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64966549
1-(3-bromo-5-methoxyphenyl)-3,6-diethylpiperazine-2,5-dione
CID 82859302
1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961652
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione
CID 64965444
6-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylpiperazine-2,5-dione
CID 64966235
6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 107851340
6-ethyl-3-methyl-1-(2,3,5-trifluorophenyl)piperazine-2,5-dione
CID 64969738
1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64963269
6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64960027
1-(5-chloro-2-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961373
1-(5-bromo-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961128

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione (CID 64956863) is 1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is USWMMAMLEDDNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-13-14(18)16-9(2)15(19)17(13)10-6-11(20-3)8-12(7-10)21-4/h6-9,13H,5H2,1-4H3,(H,16,18).
What are the key properties of 1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 292.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64956863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).