1-pyrazin-2-ylpiperidin-4-one

C9H11N3O — CID 14156398

IUPAC1-pyrazin-2-ylpiperidin-4-one
SMILESO=C1CCN(c2cnccn2)CC1
InChIInChI=1S/C9H11N3O/c13-8-1-5-12(6-2-8)9-7-10-3-4-11-9/h3-4,7H,1-2,5-6H2
InChIKeyXPCSQADQDLPZMM-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.65
Rot. Bonds1

About 1-pyrazin-2-ylpiperidin-4-one

1-pyrazin-2-ylpiperidin-4-one (PubChem CID 14156398) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-pyrazin-2-ylpiperidin-4-one.

Molecular Properties

Compound Name1-pyrazin-2-ylpiperidin-4-one
PubChem CID14156398
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-pyrazin-2-ylpiperidin-4-one
SMILESO=C1CCN(c2cnccn2)CC1
InChIInChI=1S/C9H11N3O/c13-8-1-5-12(6-2-8)9-7-10-3-4-11-9/h3-4,7H,1-2,5-6H2
InChIKeyXPCSQADQDLPZMM-UHFFFAOYSA-N
XLogP0.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-bromopiperidin-1-yl)pyrazine
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2-(4-methylsulfanylpiperazin-1-yl)pyrazine
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1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one
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3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
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1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
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4-(4-pyrazin-2-ylpiperazin-1-yl)phenol
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2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylpiperidin-4-one?
The IUPAC name of 1-pyrazin-2-ylpiperidin-4-one (CID 14156398) is 1-pyrazin-2-ylpiperidin-4-one.
What is the SMILES notation for 1-pyrazin-2-ylpiperidin-4-one?
The canonical SMILES for 1-pyrazin-2-ylpiperidin-4-one is O=C1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-pyrazin-2-ylpiperidin-4-one?
The InChIKey is XPCSQADQDLPZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-8-1-5-12(6-2-8)9-7-10-3-4-11-9/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-pyrazin-2-ylpiperidin-4-one?
1-pyrazin-2-ylpiperidin-4-one has a molecular weight of 177.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylpiperidin-4-one is sourced from PubChem (CID 14156398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).