3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione

C20H20ClNO2 — CID 123475658

IUPAC3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione
SMILESCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)CC(C)(C)NC1=O
InChIInChI=1S/C20H20ClNO2/c1-12-4-5-14(13-6-8-15(21)9-7-13)10-16(12)18-17(23)11-20(2,3)22-19(18)24/h4-10,18H,11H2,1-3H3,(H,22,24)
InChIKeyKFSFUNMDVLKQNE-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.27
Rot. Bonds2

About 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione

3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione (PubChem CID 123475658) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione
PubChem CID123475658
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione
SMILESCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)CC(C)(C)NC1=O
InChIInChI=1S/C20H20ClNO2/c1-12-4-5-14(13-6-8-15(21)9-7-13)10-16(12)18-17(23)11-20(2,3)22-19(18)24/h4-10,18H,11H2,1-3H3,(H,22,24)
InChIKeyKFSFUNMDVLKQNE-UHFFFAOYSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-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 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione?
The IUPAC name of 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione (CID 123475658) is 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione?
The canonical SMILES for 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione is Cc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)CC(C)(C)NC1=O.
What is the InChIKey of 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione?
The InChIKey is KFSFUNMDVLKQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-12-4-5-14(13-6-8-15(21)9-7-13)10-16(12)18-17(23)11-20(2,3)22-19(18)24/h4-10,18H,11H2,1-3H3,(H,22,24).
What are the key properties of 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione?
3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione has a molecular weight of 341.84 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione is sourced from PubChem (CID 123475658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).