1-methylpiperazine-2,3-dione

C5H8N2O2 — CID 3042433

IUPAC1-methylpiperazine-2,3-dione
SMILESCN1CCNC(=O)C1=O
InChIInChI=1S/C5H8N2O2/c1-7-3-2-6-4(8)5(7)9/h2-3H2,1H3,(H,6,8)
InChIKeyWXKVEQXAOQPAKO-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.43
Rot. Bonds

About 1-methylpiperazine-2,3-dione

1-methylpiperazine-2,3-dione (PubChem CID 3042433) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-methylpiperazine-2,3-dione
PubChem CID3042433
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1-methylpiperazine-2,3-dione
SMILESCN1CCNC(=O)C1=O
InChIInChI=1S/C5H8N2O2/c1-7-3-2-6-4(8)5(7)9/h2-3H2,1H3,(H,6,8)
InChIKeyWXKVEQXAOQPAKO-UHFFFAOYSA-N
XLogP-1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine-2,3-dione?
The IUPAC name of 1-methylpiperazine-2,3-dione (CID 3042433) is 1-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-methylpiperazine-2,3-dione?
The canonical SMILES for 1-methylpiperazine-2,3-dione is CN1CCNC(=O)C1=O.
What is the InChIKey of 1-methylpiperazine-2,3-dione?
The InChIKey is WXKVEQXAOQPAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-7-3-2-6-4(8)5(7)9/h2-3H2,1H3,(H,6,8).
What are the key properties of 1-methylpiperazine-2,3-dione?
1-methylpiperazine-2,3-dione has a molecular weight of 128.13 g/mol, XLogP of -1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine-2,3-dione is sourced from PubChem (CID 3042433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).