1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione

C13H13Cl2NO2 — CID 2732368

IUPAC1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C1
InChIInChI=1S/C13H13Cl2NO2/c1-13(2)6-11(17)16(12(18)7-13)10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3
InChIKeyWYCKEBPBGDQGOU-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.67
Rot. Bonds1

About 1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione

1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 2732368) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID2732368
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C1
InChIInChI=1S/C13H13Cl2NO2/c1-13(2)6-11(17)16(12(18)7-13)10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3
InChIKeyWYCKEBPBGDQGOU-UHFFFAOYSA-N
XLogP3.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione (CID 2732368) is 1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is WYCKEBPBGDQGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c1-13(2)6-11(17)16(12(18)7-13)10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 286.16 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 2732368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).