1-piperidin-4-ylpyrazin-2-one

C9H13N3O — CID 83669014

IUPAC1-piperidin-4-ylpyrazin-2-one
SMILESO=c1cnccn1C1CCNCC1
InChIInChI=1S/C9H13N3O/c13-9-7-11-5-6-12(9)8-1-3-10-4-2-8/h5-8,10H,1-4H2
InChIKeyYYWDOIROSKQUQT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.17
Rot. Bonds1

About 1-piperidin-4-ylpyrazin-2-one

1-piperidin-4-ylpyrazin-2-one (PubChem CID 83669014) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-piperidin-4-ylpyrazin-2-one.

Molecular Properties

Compound Name1-piperidin-4-ylpyrazin-2-one
PubChem CID83669014
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-piperidin-4-ylpyrazin-2-one
SMILESO=c1cnccn1C1CCNCC1
InChIInChI=1S/C9H13N3O/c13-9-7-11-5-6-12(9)8-1-3-10-4-2-8/h5-8,10H,1-4H2
InChIKeyYYWDOIROSKQUQT-UHFFFAOYSA-N
XLogP0.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpyrazin-2-one?
The IUPAC name of 1-piperidin-4-ylpyrazin-2-one (CID 83669014) is 1-piperidin-4-ylpyrazin-2-one.
What is the SMILES notation for 1-piperidin-4-ylpyrazin-2-one?
The canonical SMILES for 1-piperidin-4-ylpyrazin-2-one is O=c1cnccn1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpyrazin-2-one?
The InChIKey is YYWDOIROSKQUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-7-11-5-6-12(9)8-1-3-10-4-2-8/h5-8,10H,1-4H2.
What are the key properties of 1-piperidin-4-ylpyrazin-2-one?
1-piperidin-4-ylpyrazin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpyrazin-2-one is sourced from PubChem (CID 83669014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).