2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide

C13H14N2O3 — CID 154202178

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide
SMILESCc1ccc(C2CCC(=O)NC2=O)c(C(N)=O)c1
InChIInChI=1S/C13H14N2O3/c1-7-2-3-8(10(6-7)12(14)17)9-4-5-11(16)15-13(9)18/h2-3,6,9H,4-5H2,1H3,(H2,14,17)(H,15,16,18)
InChIKeyMNEFZSAZSDPUKR-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.61
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide

2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide (PubChem CID 154202178) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide
PubChem CID154202178
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide
SMILESCc1ccc(C2CCC(=O)NC2=O)c(C(N)=O)c1
InChIInChI=1S/C13H14N2O3/c1-7-2-3-8(10(6-7)12(14)17)9-4-5-11(16)15-13(9)18/h2-3,6,9H,4-5H2,1H3,(H2,14,17)(H,15,16,18)
InChIKeyMNEFZSAZSDPUKR-UHFFFAOYSA-N
XLogP0.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione
CID 146573435
2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712075
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione
CID 170132586
3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
CID 170979047
3-(7-hydroxy-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 166151987
3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione
CID 167071398
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide (CID 154202178) is 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide is Cc1ccc(C2CCC(=O)NC2=O)c(C(N)=O)c1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide?
The InChIKey is MNEFZSAZSDPUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7-2-3-8(10(6-7)12(14)17)9-4-5-11(16)15-13(9)18/h2-3,6,9H,4-5H2,1H3,(H2,14,17)(H,15,16,18).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide?
2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide has a molecular weight of 246.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide is sourced from PubChem (CID 154202178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).