1,6-dimethylpiperidine-2,4-dione

C7H11NO2 — CID 14800181

IUPAC1,6-dimethylpiperidine-2,4-dione
SMILESCC1CC(=O)CC(=O)N1C
InChIInChI=1S/C7H11NO2/c1-5-3-6(9)4-7(10)8(5)2/h5H,3-4H2,1-2H3
InChIKeyDAODXRWHRQTDDQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.20
Rot. Bonds

About 1,6-dimethylpiperidine-2,4-dione

1,6-dimethylpiperidine-2,4-dione (PubChem CID 14800181) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1,6-dimethylpiperidine-2,4-dione.

Molecular Properties

Compound Name1,6-dimethylpiperidine-2,4-dione
PubChem CID14800181
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1,6-dimethylpiperidine-2,4-dione
SMILESCC1CC(=O)CC(=O)N1C
InChIInChI=1S/C7H11NO2/c1-5-3-6(9)4-7(10)8(5)2/h5H,3-4H2,1-2H3
InChIKeyDAODXRWHRQTDDQ-UHFFFAOYSA-N
XLogP0.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,6-dimethylpiperidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylpiperidine-2,4-dione?
The IUPAC name of 1,6-dimethylpiperidine-2,4-dione (CID 14800181) is 1,6-dimethylpiperidine-2,4-dione.
What is the SMILES notation for 1,6-dimethylpiperidine-2,4-dione?
The canonical SMILES for 1,6-dimethylpiperidine-2,4-dione is CC1CC(=O)CC(=O)N1C.
What is the InChIKey of 1,6-dimethylpiperidine-2,4-dione?
The InChIKey is DAODXRWHRQTDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-6(9)4-7(10)8(5)2/h5H,3-4H2,1-2H3.
What are the key properties of 1,6-dimethylpiperidine-2,4-dione?
1,6-dimethylpiperidine-2,4-dione has a molecular weight of 141.17 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylpiperidine-2,4-dione is sourced from PubChem (CID 14800181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).