1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one

C13H21N3O — CID 53015075

IUPAC1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCCCC2)c1=O
InChIInChI=1S/C13H21N3O/c1-11(2)10-16-9-6-14-12(13(16)17)15-7-4-3-5-8-15/h6,9,11H,3-5,7-8,10H2,1-2H3
InChIKeyOMRZWYVSSXVYPJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.89
Rot. Bonds3

About 1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one

1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one (PubChem CID 53015075) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one
PubChem CID53015075
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCCCC2)c1=O
InChIInChI=1S/C13H21N3O/c1-11(2)10-16-9-6-14-12(13(16)17)15-7-4-3-5-8-15/h6,9,11H,3-5,7-8,10H2,1-2H3
InChIKeyOMRZWYVSSXVYPJ-UHFFFAOYSA-N
XLogP1.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one (CID 53015075) is 1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one is CC(C)Cn1ccnc(N2CCCCC2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one?
The InChIKey is OMRZWYVSSXVYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(2)10-16-9-6-14-12(13(16)17)15-7-4-3-5-8-15/h6,9,11H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one?
1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-piperidin-1-ylpyrazin-2-one is sourced from PubChem (CID 53015075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).