4-(3-methoxyphenyl)piperazine-2,6-dione

C11H12N2O3 — CID 63788375

IUPAC4-(3-methoxyphenyl)piperazine-2,6-dione
SMILESCOc1cccc(N2CC(=O)NC(=O)C2)c1
InChIInChI=1S/C11H12N2O3/c1-16-9-4-2-3-8(5-9)13-6-10(14)12-11(15)7-13/h2-5H,6-7H2,1H3,(H,12,14,15)
InChIKeyQCHHPFUTUOKKQM-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.16
Rot. Bonds2

About 4-(3-methoxyphenyl)piperazine-2,6-dione

4-(3-methoxyphenyl)piperazine-2,6-dione (PubChem CID 63788375) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-methoxyphenyl)piperazine-2,6-dione
PubChem CID63788375
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-(3-methoxyphenyl)piperazine-2,6-dione
SMILESCOc1cccc(N2CC(=O)NC(=O)C2)c1
InChIInChI=1S/C11H12N2O3/c1-16-9-4-2-3-8(5-9)13-6-10(14)12-11(15)7-13/h2-5H,6-7H2,1H3,(H,12,14,15)
InChIKeyQCHHPFUTUOKKQM-UHFFFAOYSA-N
XLogP0.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.16
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

ethane;4-phenylpiperazine-2,6-dione
CID 142623304
1-(3-methoxyphenyl)azepane
CID 57276431
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 21350625
1-(3-methoxyphenyl)pyrazolidine-3,5-dione
CID 71563531
2-(3,5-dioxopiperazin-1-yl)-4-methoxybenzonitrile
CID 81306288
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 78442416
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole
CID 144819173
3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 82484817
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)piperazine-2,6-dione?
The IUPAC name of 4-(3-methoxyphenyl)piperazine-2,6-dione (CID 63788375) is 4-(3-methoxyphenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-methoxyphenyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-methoxyphenyl)piperazine-2,6-dione is COc1cccc(N2CC(=O)NC(=O)C2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)piperazine-2,6-dione?
The InChIKey is QCHHPFUTUOKKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-9-4-2-3-8(5-9)13-6-10(14)12-11(15)7-13/h2-5H,6-7H2,1H3,(H,12,14,15).
What are the key properties of 4-(3-methoxyphenyl)piperazine-2,6-dione?
4-(3-methoxyphenyl)piperazine-2,6-dione has a molecular weight of 220.23 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)piperazine-2,6-dione is sourced from PubChem (CID 63788375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).