1-(2,5-dimethoxyphenyl)piperidine-2,6-dione

C13H15NO4 — CID 3125606

IUPAC1-(2,5-dimethoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(OC)c(N2C(=O)CCCC2=O)c1
InChIInChI=1S/C13H15NO4/c1-17-9-6-7-11(18-2)10(8-9)14-12(15)4-3-5-13(14)16/h6-8H,3-5H2,1-2H3
InChIKeyKHKMUHFUSMMJOO-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.75
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)piperidine-2,6-dione

1-(2,5-dimethoxyphenyl)piperidine-2,6-dione (PubChem CID 3125606) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)piperidine-2,6-dione
PubChem CID3125606
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-(2,5-dimethoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(OC)c(N2C(=O)CCCC2=O)c1
InChIInChI=1S/C13H15NO4/c1-17-9-6-7-11(18-2)10(8-9)14-12(15)4-3-5-13(14)16/h6-8H,3-5H2,1-2H3
InChIKeyKHKMUHFUSMMJOO-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)piperidine-2,6-dione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)piperidine-2,6-dione (CID 3125606) is 1-(2,5-dimethoxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)piperidine-2,6-dione is COc1ccc(OC)c(N2C(=O)CCCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)piperidine-2,6-dione?
The InChIKey is KHKMUHFUSMMJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-9-6-7-11(18-2)10(8-9)14-12(15)4-3-5-13(14)16/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)piperidine-2,6-dione?
1-(2,5-dimethoxyphenyl)piperidine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 3125606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).