3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione

C10H16N2O3 — CID 79395845

IUPAC3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione
SMILESCC(C)C(=O)CN1CC(=O)NC(=O)C1C
InChIInChI=1S/C10H16N2O3/c1-6(2)8(13)4-12-5-9(14)11-10(15)7(12)3/h6-7H,4-5H2,1-3H3,(H,11,14,15)
InChIKeyIAWOSPYXRJOYHQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds3

About 3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione

3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione (PubChem CID 79395845) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione
PubChem CID79395845
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione
SMILESCC(C)C(=O)CN1CC(=O)NC(=O)C1C
InChIInChI=1S/C10H16N2O3/c1-6(2)8(13)4-12-5-9(14)11-10(15)7(12)3/h6-7H,4-5H2,1-3H3,(H,11,14,15)
InChIKeyIAWOSPYXRJOYHQ-UHFFFAOYSA-N
XLogP-0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione (CID 79395845) is 3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione is CC(C)C(=O)CN1CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione?
The InChIKey is IAWOSPYXRJOYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6(2)8(13)4-12-5-9(14)11-10(15)7(12)3/h6-7H,4-5H2,1-3H3,(H,11,14,15).
What are the key properties of 3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione?
3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione has a molecular weight of 212.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione is sourced from PubChem (CID 79395845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).