4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione

C15H18N2O4 — CID 66074178

IUPAC4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCOc1ccc(CC(=O)N2CC(=O)NC(=O)C2(C)C)cc1
InChIInChI=1S/C15H18N2O4/c1-15(2)14(20)16-12(18)9-17(15)13(19)8-10-4-6-11(21-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,18,20)
InChIKeyPGIDZBMYAOOPNO-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.50
Rot. Bonds3

About 4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione

4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66074178) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66074178
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCOc1ccc(CC(=O)N2CC(=O)NC(=O)C2(C)C)cc1
InChIInChI=1S/C15H18N2O4/c1-15(2)14(20)16-12(18)9-17(15)13(19)8-10-4-6-11(21-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,18,20)
InChIKeyPGIDZBMYAOOPNO-UHFFFAOYSA-N
XLogP0.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.50
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

4-[2-(4-bromophenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074596
4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076122
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66074634
3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione
CID 112603296
4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073806
4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075105
4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074370
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81288892
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076073
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione (CID 66074178) is 4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione is COc1ccc(CC(=O)N2CC(=O)NC(=O)C2(C)C)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is PGIDZBMYAOOPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2)14(20)16-12(18)9-17(15)13(19)8-10-4-6-11(21-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,18,20).
What are the key properties of 4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 290.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66074178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).