1-ethyl-6,6-dimethylpiperazine-2,5-dione

C8H14N2O2 — CID 64879711

IUPAC1-ethyl-6,6-dimethylpiperazine-2,5-dione
SMILESCCN1C(=O)CNC(=O)C1(C)C
InChIInChI=1S/C8H14N2O2/c1-4-10-6(11)5-9-7(12)8(10,2)3/h4-5H2,1-3H3,(H,9,12)
InChIKeyGROPIISQHAUMGB-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.26
Rot. Bonds1

About 1-ethyl-6,6-dimethylpiperazine-2,5-dione

1-ethyl-6,6-dimethylpiperazine-2,5-dione (PubChem CID 64879711) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-ethyl-6,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-6,6-dimethylpiperazine-2,5-dione
PubChem CID64879711
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-ethyl-6,6-dimethylpiperazine-2,5-dione
SMILESCCN1C(=O)CNC(=O)C1(C)C
InChIInChI=1S/C8H14N2O2/c1-4-10-6(11)5-9-7(12)8(10,2)3/h4-5H2,1-3H3,(H,9,12)
InChIKeyGROPIISQHAUMGB-UHFFFAOYSA-N
XLogP-0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-ethyl-6,6-dimethylpiperazine-2,5-dione (CID 64879711) is 1-ethyl-6,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-6,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-ethyl-6,6-dimethylpiperazine-2,5-dione is CCN1C(=O)CNC(=O)C1(C)C.
What is the InChIKey of 1-ethyl-6,6-dimethylpiperazine-2,5-dione?
The InChIKey is GROPIISQHAUMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-10-6(11)5-9-7(12)8(10,2)3/h4-5H2,1-3H3,(H,9,12).
What are the key properties of 1-ethyl-6,6-dimethylpiperazine-2,5-dione?
1-ethyl-6,6-dimethylpiperazine-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64879711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).