1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one

C13H20N4O2 — CID 63661414

IUPAC1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCC(=O)NC2)c1=O
InChIInChI=1S/C13H20N4O2/c1-13(2,3)17-7-6-14-11(12(17)19)16-9-4-5-10(18)15-8-9/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyHHIPGSOPOVJPDZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds2

About 1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one

1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one (PubChem CID 63661414) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
PubChem CID63661414
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCC(=O)NC2)c1=O
InChIInChI=1S/C13H20N4O2/c1-13(2,3)17-7-6-14-11(12(17)19)16-9-4-5-10(18)15-8-9/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyHHIPGSOPOVJPDZ-UHFFFAOYSA-N
XLogP0.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one (CID 63661414) is 1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one is CC(C)(C)n1ccnc(NC2CCC(=O)NC2)c1=O.
What is the InChIKey of 1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one?
The InChIKey is HHIPGSOPOVJPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)17-7-6-14-11(12(17)19)16-9-4-5-10(18)15-8-9/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H,15,18).
What are the key properties of 1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one?
1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 63661414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).