1,3,3,4,5,5-hexamethylpiperazine-2,6-dione

C10H18N2O2 — CID 13247186

IUPAC1,3,3,4,5,5-hexamethylpiperazine-2,6-dione
SMILESCN1C(=O)C(C)(C)N(C)C(C)(C)C1=O
InChIInChI=1S/C10H18N2O2/c1-9(2)7(13)11(5)8(14)10(3,4)12(9)6/h1-6H3
InChIKeyLIGLONZPBPKXNO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.47
Rot. Bonds

About 1,3,3,4,5,5-hexamethylpiperazine-2,6-dione

1,3,3,4,5,5-hexamethylpiperazine-2,6-dione (PubChem CID 13247186) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,3,3,4,5,5-hexamethylpiperazine-2,6-dione.

Molecular Properties

Compound Name1,3,3,4,5,5-hexamethylpiperazine-2,6-dione
PubChem CID13247186
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1,3,3,4,5,5-hexamethylpiperazine-2,6-dione
SMILESCN1C(=O)C(C)(C)N(C)C(C)(C)C1=O
InChIInChI=1S/C10H18N2O2/c1-9(2)7(13)11(5)8(14)10(3,4)12(9)6/h1-6H3
InChIKeyLIGLONZPBPKXNO-UHFFFAOYSA-N
XLogP0.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,5,5-hexamethylpiperazine-2,6-dione?
The IUPAC name of 1,3,3,4,5,5-hexamethylpiperazine-2,6-dione (CID 13247186) is 1,3,3,4,5,5-hexamethylpiperazine-2,6-dione.
What is the SMILES notation for 1,3,3,4,5,5-hexamethylpiperazine-2,6-dione?
The canonical SMILES for 1,3,3,4,5,5-hexamethylpiperazine-2,6-dione is CN1C(=O)C(C)(C)N(C)C(C)(C)C1=O.
What is the InChIKey of 1,3,3,4,5,5-hexamethylpiperazine-2,6-dione?
The InChIKey is LIGLONZPBPKXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(2)7(13)11(5)8(14)10(3,4)12(9)6/h1-6H3.
What are the key properties of 1,3,3,4,5,5-hexamethylpiperazine-2,6-dione?
1,3,3,4,5,5-hexamethylpiperazine-2,6-dione has a molecular weight of 198.27 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,5,5-hexamethylpiperazine-2,6-dione is sourced from PubChem (CID 13247186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).