1-(3-(2H-1,2,3-triazol-2-yl)benzyl)-6-(3,5-dimethoxypyridin-4-yl)piperidin-2-one

HCID 69080984
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Basic information

Standard SMILES
COc1cncc(OC)c1C1CCCC(=O)N1Cc1cccc(-n2nccn2)c1
InChIKey
AFLPVDYCVMAMQP-UHFFFAOYSA-N
Molecular formula
C21H23N5O3
Average molar mass
393.4 g/mol

Names & identifiers

Preferred name
1-(3-(2H-1,2,3-triazol-2-yl)benzyl)-6-(3,5-dimethoxypyridin-4-yl)piperidin-2-one
IUPAC
6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(triazol-2-yl)phenyl]methyl]piperidin-2-one

Names & synonyms

SCHEMBL4532006CHEMBL3946040AFLPVDYCVMAMQP-UHFFFAOYSA-NBDBM202920US9242970, 671-(3-(2H-1,2,3-triazol-2-yl)benzyl)-6-(3,5-dimethoxypyridin-4-yl)piperidin-2-one

Database identifiers

PubChem CID
69080984
ChEMBL
CHEMBL3946040

Properties

Computed structural properties

XLogP
2
Topological polar surface area
82.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29

Related reactions

1 records
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Compound notes

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