1-(2,2-dichloroacetyl)piperidine-2,6-dione

C7H7Cl2NO3 — CID 174830023

IUPAC1-(2,2-dichloroacetyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1C(=O)C(Cl)Cl
InChIInChI=1S/C7H7Cl2NO3/c8-6(9)7(13)10-4(11)2-1-3-5(10)12/h6H,1-3H2
InChIKeyXZVQSSKOBCKDFV-UHFFFAOYSA-N
MW224.04 g/mol
LogP0.86
Rot. Bonds1

About 1-(2,2-dichloroacetyl)piperidine-2,6-dione

1-(2,2-dichloroacetyl)piperidine-2,6-dione (PubChem CID 174830023) has the molecular formula C7H7Cl2NO3 and a molecular weight of 224.04 g/mol. Its IUPAC name is 1-(2,2-dichloroacetyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(2,2-dichloroacetyl)piperidine-2,6-dione
PubChem CID174830023
Molecular FormulaC7H7Cl2NO3
Molecular Weight224.04 g/mol
Exact Mass222.98
IUPAC Name1-(2,2-dichloroacetyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1C(=O)C(Cl)Cl
InChIInChI=1S/C7H7Cl2NO3/c8-6(9)7(13)10-4(11)2-1-3-5(10)12/h6H,1-3H2
InChIKeyXZVQSSKOBCKDFV-UHFFFAOYSA-N
XLogP0.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dichloroacetyl)-3H-indol-2-one
CID 11791397
2,5-dioxopyrrolidine-1-carbonyl chloride
CID 45081360
2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid
CID 81296581
N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide
CID 175006917
2,2-dichloro-1-[(2S,5R)-4-(2,2-dichloroacetyl)-2,5-dimethylpiperazin-1-yl]ethanone
CID 840950
1-(2-chloropropanoyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
CID 146095015
1-(2-fluorobenzoyl)piperidine-2,6-dione
CID 176734480
1-(6-methoxynaphthalene-2-carbonyl)piperidine-2,6-dione
CID 132604473
(2,6-dioxopiperidin-1-yl)urea
CID 19047183
1-(benzenecarbonothioyl)piperidine-2,6-dione
CID 121008611
3-(2,6-dioxopiperidin-1-yl)-2-hydroxypropanamide
CID 106172345
1-(2-methylpropanoyl)azepan-2-one
CID 86179400

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichloroacetyl)piperidine-2,6-dione?
The IUPAC name of 1-(2,2-dichloroacetyl)piperidine-2,6-dione (CID 174830023) is 1-(2,2-dichloroacetyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(2,2-dichloroacetyl)piperidine-2,6-dione?
The canonical SMILES for 1-(2,2-dichloroacetyl)piperidine-2,6-dione is O=C1CCCC(=O)N1C(=O)C(Cl)Cl.
What is the InChIKey of 1-(2,2-dichloroacetyl)piperidine-2,6-dione?
The InChIKey is XZVQSSKOBCKDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO3/c8-6(9)7(13)10-4(11)2-1-3-5(10)12/h6H,1-3H2.
What are the key properties of 1-(2,2-dichloroacetyl)piperidine-2,6-dione?
1-(2,2-dichloroacetyl)piperidine-2,6-dione has a molecular weight of 224.04 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichloroacetyl)piperidine-2,6-dione is sourced from PubChem (CID 174830023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).