tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine

C13H20N4O3 — CID 158092707

IUPACtert-butyl 3-oxopiperazine-1-carboxylate;pyrazine
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C1.c1cnccn1
InChIInChI=1S/C9H16N2O3.C4H4N2/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11;1-2-6-4-3-5-1/h4-6H2,1-3H3,(H,10,12);1-4H
InChIKeyFOHLCPGDRUWNCT-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.83
Rot. Bonds

About tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine

tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine (PubChem CID 158092707) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine.

Molecular Properties

Compound Nametert-butyl 3-oxopiperazine-1-carboxylate;pyrazine
PubChem CID158092707
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nametert-butyl 3-oxopiperazine-1-carboxylate;pyrazine
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C1.c1cnccn1
InChIInChI=1S/C9H16N2O3.C4H4N2/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11;1-2-6-4-3-5-1/h4-6H2,1-3H3,(H,10,12);1-4H
InChIKeyFOHLCPGDRUWNCT-UHFFFAOYSA-N
XLogP0.83
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
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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Related Compounds

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4-acetylpiperazin-2-one
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tert-butyl 3,5-dioxopiperazine-1-carboxylate;methanol;piperazine-2,6-dione
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tert-butyl 3-oxo-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
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2,2-dimethylhexan-3-yl 3-oxopiperazine-1-carboxylate
CID 169260496
4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
CID 56831864
tert-butyl 3-oxo-6,7-dihydro-2H-1,4-diazepine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine?
The IUPAC name of tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine (CID 158092707) is tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine.
What is the SMILES notation for tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine?
The canonical SMILES for tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine is CC(C)(C)OC(=O)N1CCNC(=O)C1.c1cnccn1.
What is the InChIKey of tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine?
The InChIKey is FOHLCPGDRUWNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.C4H4N2/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11;1-2-6-4-3-5-1/h4-6H2,1-3H3,(H,10,12);1-4H.
What are the key properties of tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine?
tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine has a molecular weight of 280.33 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine is sourced from PubChem (CID 158092707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).