1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one

C11H13N3O2S — CID 63381475

IUPAC1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one
SMILESO=C1CCN(C(=O)CSc2cnccn2)CC1
InChIInChI=1S/C11H13N3O2S/c15-9-1-5-14(6-2-9)11(16)8-17-10-7-12-3-4-13-10/h3-4,7H,1-2,5-6,8H2
InChIKeyAVIYKUDBIYTWPP-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.76
Rot. Bonds3

About 1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one

1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one (PubChem CID 63381475) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one
PubChem CID63381475
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one
SMILESO=C1CCN(C(=O)CSc2cnccn2)CC1
InChIInChI=1S/C11H13N3O2S/c15-9-1-5-14(6-2-9)11(16)8-17-10-7-12-3-4-13-10/h3-4,7H,1-2,5-6,8H2
InChIKeyAVIYKUDBIYTWPP-UHFFFAOYSA-N
XLogP0.76
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-one
CID 61382896
1-phenyl-2-pyrazin-2-ylsulfanylethanone
CID 63381108
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
2-pyrimidin-2-ylsulfanyl-1-[4-(2-pyrimidin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
CID 1239284
6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid
CID 114235877
N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide
CID 79215620
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
1-(3,4-dihydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone
CID 63381744
butyl 2-pyrazin-2-ylsulfanylacetate
CID 63380450
1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone
CID 55249483
1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone
CID 63381009
1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone
CID 63407368

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one?
The IUPAC name of 1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one (CID 63381475) is 1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one.
What is the SMILES notation for 1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one?
The canonical SMILES for 1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one is O=C1CCN(C(=O)CSc2cnccn2)CC1.
What is the InChIKey of 1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one?
The InChIKey is AVIYKUDBIYTWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c15-9-1-5-14(6-2-9)11(16)8-17-10-7-12-3-4-13-10/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one?
1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one is sourced from PubChem (CID 63381475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).