1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione

C9H14N4O3 — CID 174178264

IUPAC1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione
SMILESCN1CCN(N2CC(=O)NCC2=O)C(=O)C1
InChIInChI=1S/C9H14N4O3/c1-11-2-3-12(9(16)6-11)13-5-7(14)10-4-8(13)15/h2-6H2,1H3,(H,10,14)
InChIKeyRMGOGYBELBFVBX-UHFFFAOYSA-N
MW226.24 g/mol
LogP-2.37
Rot. Bonds1

About 1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione

1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione (PubChem CID 174178264) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione
PubChem CID174178264
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione
SMILESCN1CCN(N2CC(=O)NCC2=O)C(=O)C1
InChIInChI=1S/C9H14N4O3/c1-11-2-3-12(9(16)6-11)13-5-7(14)10-4-8(13)15/h2-6H2,1H3,(H,10,14)
InChIKeyRMGOGYBELBFVBX-UHFFFAOYSA-N
XLogP-2.37
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-2.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione 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-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione?
The IUPAC name of 1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione (CID 174178264) is 1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione?
The canonical SMILES for 1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione is CN1CCN(N2CC(=O)NCC2=O)C(=O)C1.
What is the InChIKey of 1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione?
The InChIKey is RMGOGYBELBFVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-11-2-3-12(9(16)6-11)13-5-7(14)10-4-8(13)15/h2-6H2,1H3,(H,10,14).
What are the key properties of 1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione?
1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione has a molecular weight of 226.24 g/mol, XLogP of -2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione is sourced from PubChem (CID 174178264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).