1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione

C13H14ClNO2 — CID 2732475

IUPAC1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C13H14ClNO2/c1-13(2)7-11(16)15(12(17)8-13)10-5-3-4-9(14)6-10/h3-6H,7-8H2,1-2H3
InChIKeyLKWBOKOIIFAHJM-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.02
Rot. Bonds1

About 1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione

1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 2732475) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID2732475
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C13H14ClNO2/c1-13(2)7-11(16)15(12(17)8-13)10-5-3-4-9(14)6-10/h3-6H,7-8H2,1-2H3
InChIKeyLKWBOKOIIFAHJM-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Procymidone
CID 36242
1-(3,5-Dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732368
1-(3-Chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
CID 4580288
1-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-4-ethyl-4-methyl-piperidine-2,6-dione
CID 9822942
1-(2,4-Dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732477
1-(2,5-Dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732479
1-(5-Chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732488
N-(4-Chlorophenyl)glutarimide
CID 2732366
3-(3-Chlorophenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 2837086
1-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4,4-dimethyl-piperidine-2,6-dione
CID 11268507
1-(4-Chlorophenyl)-3,3-diethylazetidine-2,4-dione
CID 24823608
1-(3-Chloro-4-fluorophenyl)-4-ethyl-4-methylpiperidine-2,6-dione
CID 2732407

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione (CID 2732475) is 1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(c2cccc(Cl)c2)C(=O)C1.
What is the InChIKey of 1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is LKWBOKOIIFAHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-13(2)7-11(16)15(12(17)8-13)10-5-3-4-9(14)6-10/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 251.71 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 2732475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).