4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione

C9H14N2O4 — CID 66076122

IUPAC4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCOCC(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C9H14N2O4/c1-9(2)8(14)10-6(12)4-11(9)7(13)5-15-3/h4-5H2,1-3H3,(H,10,12,14)
InChIKeyAOHMLQAKYZQNJG-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.10
Rot. Bonds2

About 4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione

4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66076122) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66076122
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCOCC(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C9H14N2O4/c1-9(2)8(14)10-6(12)4-11(9)7(13)5-15-3/h4-5H2,1-3H3,(H,10,12,14)
InChIKeyAOHMLQAKYZQNJG-UHFFFAOYSA-N
XLogP-1.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione
CID 112603296
methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetate
CID 112617395
4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione
CID 107507470
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66074634
4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074178
4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66069032
3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione
CID 66073632
3,3-dimethyl-4-[3-(propan-2-ylamino)propanoyl]piperazine-2,6-dione
CID 66074617
4-[2-(4-bromophenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074596
3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione
CID 66075005
2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 113463021
3,3-dimethyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
CID 66074558

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione (CID 66076122) is 4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione is COCC(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is AOHMLQAKYZQNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-9(2)8(14)10-6(12)4-11(9)7(13)5-15-3/h4-5H2,1-3H3,(H,10,12,14).
What are the key properties of 4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione?
4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 214.22 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66076122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).