1-benzyl-4-methylpiperazine-2,3-dione;ethane

C14H20N2O2 — CID 142485528

IUPAC1-benzyl-4-methylpiperazine-2,3-dione;ethane
SMILESCC.CN1CCN(Cc2ccccc2)C(=O)C1=O
InChIInChI=1S/C12H14N2O2.C2H6/c1-13-7-8-14(12(16)11(13)15)9-10-5-3-2-4-6-10;1-2/h2-6H,7-9H2,1H3;1-2H3
InChIKeyFLUMHTOEGFKDBG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds2

About 1-benzyl-4-methylpiperazine-2,3-dione;ethane

1-benzyl-4-methylpiperazine-2,3-dione;ethane (PubChem CID 142485528) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperazine-2,3-dione;ethane.

Molecular Properties

Compound Name1-benzyl-4-methylpiperazine-2,3-dione;ethane
PubChem CID142485528
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-benzyl-4-methylpiperazine-2,3-dione;ethane
SMILESCC.CN1CCN(Cc2ccccc2)C(=O)C1=O
InChIInChI=1S/C12H14N2O2.C2H6/c1-13-7-8-14(12(16)11(13)15)9-10-5-3-2-4-6-10;1-2/h2-6H,7-9H2,1H3;1-2H3
InChIKeyFLUMHTOEGFKDBG-UHFFFAOYSA-N
XLogP1.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-methylpiperazine-2,3-dione;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperazine-2,3-dione;ethane?
The IUPAC name of 1-benzyl-4-methylpiperazine-2,3-dione;ethane (CID 142485528) is 1-benzyl-4-methylpiperazine-2,3-dione;ethane.
What is the SMILES notation for 1-benzyl-4-methylpiperazine-2,3-dione;ethane?
The canonical SMILES for 1-benzyl-4-methylpiperazine-2,3-dione;ethane is CC.CN1CCN(Cc2ccccc2)C(=O)C1=O.
What is the InChIKey of 1-benzyl-4-methylpiperazine-2,3-dione;ethane?
The InChIKey is FLUMHTOEGFKDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C2H6/c1-13-7-8-14(12(16)11(13)15)9-10-5-3-2-4-6-10;1-2/h2-6H,7-9H2,1H3;1-2H3.
What are the key properties of 1-benzyl-4-methylpiperazine-2,3-dione;ethane?
1-benzyl-4-methylpiperazine-2,3-dione;ethane has a molecular weight of 248.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperazine-2,3-dione;ethane is sourced from PubChem (CID 142485528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).