1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione

C14H18N2O4 — CID 64956799

IUPAC1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(C)NC(=O)C2C)c1
InChIInChI=1S/C14H18N2O4/c1-8-14(18)16(9(2)13(17)15-8)11-7-10(19-3)5-6-12(11)20-4/h5-9H,1-4H3,(H,15,17)
InChIKeySRQOQFMZQPWDDA-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.94
Rot. Bonds3

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

1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64956799) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID64956799
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(C)NC(=O)C2C)c1
InChIInChI=1S/C14H18N2O4/c1-8-14(18)16(9(2)13(17)15-8)11-7-10(19-3)5-6-12(11)20-4/h5-9H,1-4H3,(H,15,17)
InChIKeySRQOQFMZQPWDDA-UHFFFAOYSA-N
XLogP0.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione (CID 64956799) is 1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione is COc1ccc(OC)c(N2C(=O)C(C)NC(=O)C2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is SRQOQFMZQPWDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-14(18)16(9(2)13(17)15-8)11-7-10(19-3)5-6-12(11)20-4/h5-9H,1-4H3,(H,15,17).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione?
1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 278.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64956799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).