4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione

C14H16N2O5 — CID 66060981

IUPAC4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione
SMILESCOc1ccc(OCC(=O)N2CC(=O)NC(=O)C2C)cc1
InChIInChI=1S/C14H16N2O5/c1-9-14(19)15-12(17)7-16(9)13(18)8-21-11-5-3-10(20-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,17,19)
InChIKeyGMHRLZMPZKSSLU-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.05
Rot. Bonds4

About 4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione

4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione (PubChem CID 66060981) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione
PubChem CID66060981
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione
SMILESCOc1ccc(OCC(=O)N2CC(=O)NC(=O)C2C)cc1
InChIInChI=1S/C14H16N2O5/c1-9-14(19)15-12(17)7-16(9)13(18)8-21-11-5-3-10(20-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,17,19)
InChIKeyGMHRLZMPZKSSLU-UHFFFAOYSA-N
XLogP-0.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione
CID 66061538
4-[2-(2,5-dichlorophenoxy)acetyl]-3-methylpiperazine-2,6-dione
CID 66061924
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
4-[3-(3-bromophenoxy)propanoyl]-3-methylpiperazine-2,6-dione
CID 66061582
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 66061914
4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63373690
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one
CID 63078352
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192
4-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-methylpiperazine-2,6-dione
CID 66063090

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione (CID 66060981) is 4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione is COc1ccc(OCC(=O)N2CC(=O)NC(=O)C2C)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione?
The InChIKey is GMHRLZMPZKSSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-9-14(19)15-12(17)7-16(9)13(18)8-21-11-5-3-10(20-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,17,19).
What are the key properties of 4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione?
4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione has a molecular weight of 292.29 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66060981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).