tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate

C13H20N4O3 — CID 59013892

IUPACtert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-8-6-16(7-9-17)10-11(18)15-5-4-14-10/h4-5H,6-9H2,1-3H3,(H,15,18)
InChIKeyOSIXVMRHLPACFB-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.83
Rot. Bonds1

About tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate

tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate (PubChem CID 59013892) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate
PubChem CID59013892
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nametert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-8-6-16(7-9-17)10-11(18)15-5-4-14-10/h4-5H,6-9H2,1-3H3,(H,15,18)
InChIKeyOSIXVMRHLPACFB-UHFFFAOYSA-N
XLogP0.83
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate (CID 59013892) is tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate?
The InChIKey is OSIXVMRHLPACFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-8-6-16(7-9-17)10-11(18)15-5-4-14-10/h4-5H,6-9H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 59013892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).