4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione

C13H16N2O3 — CID 82118888

IUPAC4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
SMILESCOc1ccccc1CCN1CC(=O)NC(=O)C1
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-10(11)6-7-15-8-12(16)14-13(17)9-15/h2-5H,6-9H2,1H3,(H,14,16,17)
InChIKeyJVHDHHSYSPPIDI-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.20
Rot. Bonds4

About 4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione

4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione (PubChem CID 82118888) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
PubChem CID82118888
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
SMILESCOc1ccccc1CCN1CC(=O)NC(=O)C1
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-10(11)6-7-15-8-12(16)14-13(17)9-15/h2-5H,6-9H2,1H3,(H,14,16,17)
InChIKeyJVHDHHSYSPPIDI-UHFFFAOYSA-N
XLogP0.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.20
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

1-[2-(2-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 106260471
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
CID 83824146
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole
CID 113219800
1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane
CID 106261953
3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine
CID 106261625
1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 82083206
1-cyclopentylsulfonyl-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411428
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione (CID 82118888) is 4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione is COc1ccccc1CCN1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione?
The InChIKey is JVHDHHSYSPPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-10(11)6-7-15-8-12(16)14-13(17)9-15/h2-5H,6-9H2,1H3,(H,14,16,17).
What are the key properties of 4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione?
4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione has a molecular weight of 248.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 82118888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).