8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one

C17H17N5O3 — CID 110664099

IUPAC8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2c(cccc2N2CCN(C(=O)c3cnccn3)CC2)N1
InChIInChI=1S/C17H17N5O3/c23-15-11-25-16-12(20-15)2-1-3-14(16)21-6-8-22(9-7-21)17(24)13-10-18-4-5-19-13/h1-5,10H,6-9,11H2,(H,20,23)
InChIKeyJIEJDSIOYIJUTD-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.77
Rot. Bonds2

About 8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one

8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 110664099) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one
PubChem CID110664099
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2c(cccc2N2CCN(C(=O)c3cnccn3)CC2)N1
InChIInChI=1S/C17H17N5O3/c23-15-11-25-16-12(20-15)2-1-3-14(16)21-6-8-22(9-7-21)17(24)13-10-18-4-5-19-13/h1-5,10H,6-9,11H2,(H,20,23)
InChIKeyJIEJDSIOYIJUTD-UHFFFAOYSA-N
XLogP0.77
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one
CID 110664148
4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide
CID 110664161
8-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one
CID 110664146
4-methyl-5-(pyrazine-2-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 71943192
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 108731282
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrazin-2-ylmethanone
CID 27563231
[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 1031812
1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
CID 62046605
pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741613
5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662219
9-piperazin-1-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82232263
N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336004

Frequently Asked Questions

What is the IUPAC name of 8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one (CID 110664099) is 8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one is O=C1COc2c(cccc2N2CCN(C(=O)c3cnccn3)CC2)N1.
What is the InChIKey of 8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is JIEJDSIOYIJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-15-11-25-16-12(20-15)2-1-3-14(16)21-6-8-22(9-7-21)17(24)13-10-18-4-5-19-13/h1-5,10H,6-9,11H2,(H,20,23).
What are the key properties of 8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one?
8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 339.36 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 110664099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).