5-(3-Chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidin-2-one

HCID 67999331

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCC(c2cccc(Cl)c2)C(c2ccc(Cl)cn2)N1
InChIKey: IXTDRUBQACZYKY-UHFFFAOYSA-N
Molecular formula: C16H14Cl2N2O
Average molar mass: 321.2 g/mol

Names & identifiers

Preferred name: 5-(3-Chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidin-2-one
IUPAC: 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidin-2-one

Names & synonyms

SCHEMBL9991895

Database identifiers

PubChem CID: 67999331

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 379

Related reactions

4 records

New reaction record

HRID 121243 reaction equation

HRID 121243As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 175829 reaction equation

HRID 175829As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 827346 reaction equation

HRID 827346As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 2149437 reaction equation

HRID 2149437As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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