3-Chloro-4-(piperidin-2-on-1-yl)-benzoic acid

HCID 64317440
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Basic information

Standard SMILES
O=C(O)c1ccc(N2CCCCC2=O)c(Cl)c1
InChIKey
XHOHPWFEJRFDCN-UHFFFAOYSA-N
Molecular formula
C12H12ClNO3
Average molar mass
253.68 g/mol
Monoisotopic mass
253.0505709

Names & identifiers

Preferred name
3-Chloro-4-(piperidin-2-on-1-yl)-benzoic acid
IUPAC
3-chloro-4-(2-oxopiperidin-1-yl)benzoic acid

Names & synonyms

SCHEMBL1479409XHOHPWFEJRFDCN-UHFFFAOYSA-NAKOS0136397713-chloro-4-(piperidin-2-on-1-yl)-benzoic acid

Database identifiers

PubChem CID
64317440

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

10 records
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Compound notes

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