1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione

C14H16ClNO2 — CID 2732488

IUPAC1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCc1ccc(Cl)cc1N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C14H16ClNO2/c1-9-4-5-10(15)6-11(9)16-12(17)7-14(2,3)8-13(16)18/h4-6H,7-8H2,1-3H3
InChIKeyCRFBVWPRZYQREK-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.33
Rot. Bonds1

About 1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione

1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 2732488) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID2732488
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCc1ccc(Cl)cc1N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C14H16ClNO2/c1-9-4-5-10(15)6-11(9)16-12(17)7-14(2,3)8-13(16)18/h4-6H,7-8H2,1-3H3
InChIKeyCRFBVWPRZYQREK-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-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-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione (CID 2732488) is 1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione is Cc1ccc(Cl)cc1N1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is CRFBVWPRZYQREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-4-5-10(15)6-11(9)16-12(17)7-14(2,3)8-13(16)18/h4-6H,7-8H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione?
1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 265.74 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 2732488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).