1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one

C13H21N3O2 — CID 55155084

IUPAC1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(N2CCCC(O)C2)c1=O
InChIInChI=1S/C13H21N3O2/c1-13(2,3)16-8-6-14-11(12(16)18)15-7-4-5-10(17)9-15/h6,8,10,17H,4-5,7,9H2,1-3H3
InChIKeyGSDRBQXZMQYJDW-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.96
Rot. Bonds1

About 1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one

1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one (PubChem CID 55155084) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one
PubChem CID55155084
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(N2CCCC(O)C2)c1=O
InChIInChI=1S/C13H21N3O2/c1-13(2,3)16-8-6-14-11(12(16)18)15-7-4-5-10(17)9-15/h6,8,10,17H,4-5,7,9H2,1-3H3
InChIKeyGSDRBQXZMQYJDW-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one (CID 55155084) is 1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one is CC(C)(C)n1ccnc(N2CCCC(O)C2)c1=O.
What is the InChIKey of 1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one?
The InChIKey is GSDRBQXZMQYJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)16-8-6-14-11(12(16)18)15-7-4-5-10(17)9-15/h6,8,10,17H,4-5,7,9H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one?
1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-hydroxypiperidin-1-yl)pyrazin-2-one is sourced from PubChem (CID 55155084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).