1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one

C15H25N3O2 — CID 62929202

IUPAC1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one
SMILESCC(C)(C)n1ccnc(N2CCCCC2CCO)c1=O
InChIInChI=1S/C15H25N3O2/c1-15(2,3)18-10-8-16-13(14(18)20)17-9-5-4-6-12(17)7-11-19/h8,10,12,19H,4-7,9,11H2,1-3H3
InChIKeyWXFAKHSNPHLGFZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.74
Rot. Bonds3

About 1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one

1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one (PubChem CID 62929202) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one
PubChem CID62929202
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one
SMILESCC(C)(C)n1ccnc(N2CCCCC2CCO)c1=O
InChIInChI=1S/C15H25N3O2/c1-15(2,3)18-10-8-16-13(14(18)20)17-9-5-4-6-12(17)7-11-19/h8,10,12,19H,4-7,9,11H2,1-3H3
InChIKeyWXFAKHSNPHLGFZ-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.74
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-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one (CID 62929202) is 1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one is CC(C)(C)n1ccnc(N2CCCCC2CCO)c1=O.
What is the InChIKey of 1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one?
The InChIKey is WXFAKHSNPHLGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)18-10-8-16-13(14(18)20)17-9-5-4-6-12(17)7-11-19/h8,10,12,19H,4-7,9,11H2,1-3H3.
What are the key properties of 1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one?
1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one has a molecular weight of 279.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 62929202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).