3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione

C14H16N2O4 — CID 66061538

IUPAC3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione
SMILESCc1ccccc1OCC(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C14H16N2O4/c1-9-5-3-4-6-11(9)20-8-13(18)16-7-12(17)15-14(19)10(16)2/h3-6,10H,7-8H2,1-2H3,(H,15,17,19)
InChIKeyBVKUJDJNWRETFF-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.25
Rot. Bonds3

About 3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione

3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione (PubChem CID 66061538) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione
PubChem CID66061538
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione
SMILESCc1ccccc1OCC(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C14H16N2O4/c1-9-5-3-4-6-11(9)20-8-13(18)16-7-12(17)15-14(19)10(16)2/h3-6,10H,7-8H2,1-2H3,(H,15,17,19)
InChIKeyBVKUJDJNWRETFF-UHFFFAOYSA-N
XLogP0.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.25
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-methyl-4-[2-(4-methylphenoxy)acetyl]piperazine-2,6-dione
CID 66063520
4-[2-(2,5-dichlorophenoxy)acetyl]-3-methylpiperazine-2,6-dione
CID 66061924
4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione
CID 66060981
4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 66061914
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
2-methyl-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 79364360
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63606388
1-(5-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(2-methylphenoxy)ethanone
CID 110727547
4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
CID 55217652
2-(2-methylphenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740563
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione (CID 66061538) is 3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione is Cc1ccccc1OCC(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione?
The InChIKey is BVKUJDJNWRETFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9-5-3-4-6-11(9)20-8-13(18)16-7-12(17)15-14(19)10(16)2/h3-6,10H,7-8H2,1-2H3,(H,15,17,19).
What are the key properties of 3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione?
3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione has a molecular weight of 276.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 66061538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).