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2-(2-hydroxypropylsulfanyl)-N-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide

HCID 54510860
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(O)CSCC(=O)NCC=CCOc1cc(CN2CCCCC2)ccn1
InChIKey
YJAAWWGPFJPBRK-UHFFFAOYSA-N
Molecular formula
C20H31N3O3S
Average molar mass
393.5 g/mol
Monoisotopic mass
393.20861303

Names & identifiers

Preferred name
2-(2-hydroxypropylsulfanyl)-N-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide
IUPAC
2-(2-hydroxypropylsulfanyl)-N-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide

Names & synonyms

SCHEMBL8919554

Database identifiers

PubChem CID
54510860

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
27
Formal charge
0
Complexity
444

Related reactions

1 records
New reaction record
HRID 153997 reaction equation
HRID 153997As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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