methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate

C16H16N4O4 — CID 29068974

IUPACmethyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2cnc3ccccc3n2)CC1=O
InChIInChI=1S/C16H16N4O4/c1-24-15(22)10-19-6-7-20(9-14(19)21)16(23)13-8-17-11-4-2-3-5-12(11)18-13/h2-5,8H,6-7,9-10H2,1H3
InChIKeyPTVFTZSVSZBCLR-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.09
Rot. Bonds3

About methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate

methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate (PubChem CID 29068974) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate
PubChem CID29068974
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Namemethyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2cnc3ccccc3n2)CC1=O
InChIInChI=1S/C16H16N4O4/c1-24-15(22)10-19-6-7-20(9-14(19)21)16(23)13-8-17-11-4-2-3-5-12(11)18-13/h2-5,8H,6-7,9-10H2,1H3
InChIKeyPTVFTZSVSZBCLR-UHFFFAOYSA-N
XLogP0.09
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273
methyl 2-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-2-oxopiperazin-1-yl]acetate
CID 19419735
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 99814672
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
CID 103727060
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
CID 55595762
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
CID 39952041
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate (CID 29068974) is methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)c2cnc3ccccc3n2)CC1=O.
What is the InChIKey of methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate?
The InChIKey is PTVFTZSVSZBCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-24-15(22)10-19-6-7-20(9-14(19)21)16(23)13-8-17-11-4-2-3-5-12(11)18-13/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate?
methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate has a molecular weight of 328.33 g/mol, XLogP of 0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 29068974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).