1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione

C9H16N2O4 — CID 2850820

IUPAC1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione
SMILESCON1C(=O)C(=O)N(OC)C(C)(C)C1C
InChIInChI=1S/C9H16N2O4/c1-6-9(2,3)11(15-5)8(13)7(12)10(6)14-4/h6H,1-5H3
InChIKeyATBUJAYGIFCHSC-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.05
Rot. Bonds2

About 1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione

1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione (PubChem CID 2850820) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione
PubChem CID2850820
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione
SMILESCON1C(=O)C(=O)N(OC)C(C)(C)C1C
InChIInChI=1S/C9H16N2O4/c1-6-9(2,3)11(15-5)8(13)7(12)10(6)14-4/h6H,1-5H3
InChIKeyATBUJAYGIFCHSC-UHFFFAOYSA-N
XLogP-0.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione?
The IUPAC name of 1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione (CID 2850820) is 1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione.
What is the SMILES notation for 1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione?
The canonical SMILES for 1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione is CON1C(=O)C(=O)N(OC)C(C)(C)C1C.
What is the InChIKey of 1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione?
The InChIKey is ATBUJAYGIFCHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6-9(2,3)11(15-5)8(13)7(12)10(6)14-4/h6H,1-5H3.
What are the key properties of 1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione?
1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione has a molecular weight of 216.24 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-5,5,6-trimethylpiperazine-2,3-dione is sourced from PubChem (CID 2850820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).