methyl 4-methyl-5-oxopiperazine-2-carboxylate

C7H12N2O3 — CID 130002705

IUPACmethyl 4-methyl-5-oxopiperazine-2-carboxylate
SMILESCOC(=O)C1CN(C)C(=O)CN1
InChIInChI=1S/C7H12N2O3/c1-9-4-5(7(11)12-2)8-3-6(9)10/h5,8H,3-4H2,1-2H3
InChIKeyZEMFVTKYEXRSHW-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.41
Rot. Bonds1

About methyl 4-methyl-5-oxopiperazine-2-carboxylate

methyl 4-methyl-5-oxopiperazine-2-carboxylate (PubChem CID 130002705) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl 4-methyl-5-oxopiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-oxopiperazine-2-carboxylate
PubChem CID130002705
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Namemethyl 4-methyl-5-oxopiperazine-2-carboxylate
SMILESCOC(=O)C1CN(C)C(=O)CN1
InChIInChI=1S/C7H12N2O3/c1-9-4-5(7(11)12-2)8-3-6(9)10/h5,8H,3-4H2,1-2H3
InChIKeyZEMFVTKYEXRSHW-UHFFFAOYSA-N
XLogP-1.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-5-oxopiperazine-2-carboxylate 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 methyl 4-methyl-5-oxopiperazine-2-carboxylate?
The IUPAC name of methyl 4-methyl-5-oxopiperazine-2-carboxylate (CID 130002705) is methyl 4-methyl-5-oxopiperazine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-oxopiperazine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-5-oxopiperazine-2-carboxylate is COC(=O)C1CN(C)C(=O)CN1.
What is the InChIKey of methyl 4-methyl-5-oxopiperazine-2-carboxylate?
The InChIKey is ZEMFVTKYEXRSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-9-4-5(7(11)12-2)8-3-6(9)10/h5,8H,3-4H2,1-2H3.
What are the key properties of methyl 4-methyl-5-oxopiperazine-2-carboxylate?
methyl 4-methyl-5-oxopiperazine-2-carboxylate has a molecular weight of 172.18 g/mol, XLogP of -1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-oxopiperazine-2-carboxylate is sourced from PubChem (CID 130002705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).