3-methyl-4-propanoylpiperazine-2,6-dione

C8H12N2O3 — CID 66061335

IUPAC3-methyl-4-propanoylpiperazine-2,6-dione
SMILESCCC(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C8H12N2O3/c1-3-7(12)10-4-6(11)9-8(13)5(10)2/h5H,3-4H2,1-2H3,(H,9,11,13)
InChIKeyUYRLQXGCYXGLMR-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.73
Rot. Bonds1

About 3-methyl-4-propanoylpiperazine-2,6-dione

3-methyl-4-propanoylpiperazine-2,6-dione (PubChem CID 66061335) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-methyl-4-propanoylpiperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-propanoylpiperazine-2,6-dione
PubChem CID66061335
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-methyl-4-propanoylpiperazine-2,6-dione
SMILESCCC(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C8H12N2O3/c1-3-7(12)10-4-6(11)9-8(13)5(10)2/h5H,3-4H2,1-2H3,(H,9,11,13)
InChIKeyUYRLQXGCYXGLMR-UHFFFAOYSA-N
XLogP-0.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
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 3-methyl-4-propanoylpiperazine-2,6-dione?
The IUPAC name of 3-methyl-4-propanoylpiperazine-2,6-dione (CID 66061335) is 3-methyl-4-propanoylpiperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-propanoylpiperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-propanoylpiperazine-2,6-dione is CCC(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4-propanoylpiperazine-2,6-dione?
The InChIKey is UYRLQXGCYXGLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-7(12)10-4-6(11)9-8(13)5(10)2/h5H,3-4H2,1-2H3,(H,9,11,13).
What are the key properties of 3-methyl-4-propanoylpiperazine-2,6-dione?
3-methyl-4-propanoylpiperazine-2,6-dione has a molecular weight of 184.19 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propanoylpiperazine-2,6-dione is sourced from PubChem (CID 66061335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).