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2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2,4-dimethoxy-6-methylpyridin-3-yl]acetamide

HCID 21087344
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(C)nc(OC)c1NC(=O)CN1CCN(CCO)CC1
InChIKey
GCBBDKWQOZHPOP-UHFFFAOYSA-N
Molecular formula
C16H26N4O4
Average molar mass
338.4 g/mol

Names & identifiers

Preferred name
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2,4-dimethoxy-6-methylpyridin-3-yl]acetamide
IUPAC
N-(2,4-dimethoxy-6-methyl-3-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

Names & synonyms

SCHEMBL4514770GCBBDKWQOZHPOP-UHFFFAOYSA-N2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2,4-dimethoxy-6-methylpyridin-3-yl]acetamide

Database identifiers

PubChem CID
21087344

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
87.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
24
Formal charge
0
Complexity
390

Related reactions

3 records
New reaction record
HRID 87161 reaction equation
HRID 87161As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 227526 reaction equation
HRID 227526As reactantuspto-grants-2009_07
HRID 348566 reaction equation
HRID 348566As reactantuspto-grants-2007_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes