3-(methoxymethyl)-3-methylpiperazine-2,6-dione

C7H12N2O3 — CID 130597039

IUPAC3-(methoxymethyl)-3-methylpiperazine-2,6-dione
SMILESCOCC1(C)NCC(=O)NC1=O
InChIInChI=1S/C7H12N2O3/c1-7(4-12-2)6(11)9-5(10)3-8-7/h8H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyLLGHXHCLLBGGJL-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.36
Rot. Bonds2

About 3-(methoxymethyl)-3-methylpiperazine-2,6-dione

3-(methoxymethyl)-3-methylpiperazine-2,6-dione (PubChem CID 130597039) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-(methoxymethyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name3-(methoxymethyl)-3-methylpiperazine-2,6-dione
PubChem CID130597039
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-(methoxymethyl)-3-methylpiperazine-2,6-dione
SMILESCOCC1(C)NCC(=O)NC1=O
InChIInChI=1S/C7H12N2O3/c1-7(4-12-2)6(11)9-5(10)3-8-7/h8H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyLLGHXHCLLBGGJL-UHFFFAOYSA-N
XLogP-1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-3-methylpiperazin-2-one
CID 62535132
5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 47003415
4-(methoxymethyl)-4-methylazetidin-2-one
CID 64665365
3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione
CID 130597033
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226
5,5-dimethylpiperazin-2-one
CID 23319655
4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione
CID 79320664
potassium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride
CID 173254266
calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride
CID 173338216
3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione
CID 130597051
4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076122
aziridin-2-one
CID 158991665

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 3-(methoxymethyl)-3-methylpiperazine-2,6-dione (CID 130597039) is 3-(methoxymethyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 3-(methoxymethyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 3-(methoxymethyl)-3-methylpiperazine-2,6-dione is COCC1(C)NCC(=O)NC1=O.
What is the InChIKey of 3-(methoxymethyl)-3-methylpiperazine-2,6-dione?
The InChIKey is LLGHXHCLLBGGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-7(4-12-2)6(11)9-5(10)3-8-7/h8H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 3-(methoxymethyl)-3-methylpiperazine-2,6-dione?
3-(methoxymethyl)-3-methylpiperazine-2,6-dione has a molecular weight of 172.18 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 130597039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).