1-(2,4-dimethoxyphenyl)piperidine-2,3-dione

C13H15NO4 — CID 117013794

IUPAC1-(2,4-dimethoxyphenyl)piperidine-2,3-dione
SMILESCOc1ccc(N2CCCC(=O)C2=O)c(OC)c1
InChIInChI=1S/C13H15NO4/c1-17-9-5-6-10(12(8-9)18-2)14-7-3-4-11(15)13(14)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMQQMJNJEFQPUEB-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.40
Rot. Bonds3

About 1-(2,4-dimethoxyphenyl)piperidine-2,3-dione

1-(2,4-dimethoxyphenyl)piperidine-2,3-dione (PubChem CID 117013794) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)piperidine-2,3-dione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)piperidine-2,3-dione
PubChem CID117013794
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-(2,4-dimethoxyphenyl)piperidine-2,3-dione
SMILESCOc1ccc(N2CCCC(=O)C2=O)c(OC)c1
InChIInChI=1S/C13H15NO4/c1-17-9-5-6-10(12(8-9)18-2)14-7-3-4-11(15)13(14)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMQQMJNJEFQPUEB-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
2,4-dimethoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686728
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione
CID 21058600
1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one
CID 104848461
2,5-dimethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636218
3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione
CID 155926127
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide
CID 64992271
3-methoxy-4-(2-oxopyrrolidin-1-yl)benzenecarbothioamide
CID 104849536
1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione
CID 117013792
5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid
CID 115411659

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)piperidine-2,3-dione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)piperidine-2,3-dione (CID 117013794) is 1-(2,4-dimethoxyphenyl)piperidine-2,3-dione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)piperidine-2,3-dione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)piperidine-2,3-dione is COc1ccc(N2CCCC(=O)C2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)piperidine-2,3-dione?
The InChIKey is MQQMJNJEFQPUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-9-5-6-10(12(8-9)18-2)14-7-3-4-11(15)13(14)16/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)piperidine-2,3-dione?
1-(2,4-dimethoxyphenyl)piperidine-2,3-dione has a molecular weight of 249.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)piperidine-2,3-dione is sourced from PubChem (CID 117013794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).