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

C14H18N2O3 — CID 64955852

IUPAC3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-4-12-14(18)16(9(2)13(17)15-12)10-5-7-11(19-3)8-6-10/h5-9,12H,4H2,1-3H3,(H,15,17)
InChIKeyMRRAFSSVAHWDQY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.33
Rot. Bonds3

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

3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64955852) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione
PubChem CID64955852
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-4-12-14(18)16(9(2)13(17)15-12)10-5-7-11(19-3)8-6-10/h5-9,12H,4H2,1-3H3,(H,15,17)
InChIKeyMRRAFSSVAHWDQY-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64956453
3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
CID 64970204
3-ethyl-6-methyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962189
1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64957775
1-(3-ethoxyphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64966817
1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64959643
1-(1-benzothiophen-5-yl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 65451321
6-methyl-1-(4-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959354
1-(4-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962386
1-(3-chloro-5-fluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107370923
1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 114840981
3-ethyl-6-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
CID 107587018

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione (CID 64955852) is 3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of 3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is MRRAFSSVAHWDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-12-14(18)16(9(2)13(17)15-12)10-5-7-11(19-3)8-6-10/h5-9,12H,4H2,1-3H3,(H,15,17).
What are the key properties of 3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione?
3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.33, 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-methoxyphenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64955852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).