1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid

C17H21N3O4 — CID 10813220

IUPAC1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid
SMILESCN1C(=O)CN(C(=O)CN2CCCCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C17H21N3O4/c1-18-13-6-5-12(17(23)24)9-14(13)20(11-15(18)21)16(22)10-19-7-3-2-4-8-19/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,23,24)
InChIKeyUDXYMVPHHLPFFZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.18
Rot. Bonds3

About 1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid

1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid (PubChem CID 10813220) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid
PubChem CID10813220
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid
SMILESCN1C(=O)CN(C(=O)CN2CCCCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C17H21N3O4/c1-18-13-6-5-12(17(23)24)9-14(13)20(11-15(18)21)16(22)10-19-7-3-2-4-8-19/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,23,24)
InChIKeyUDXYMVPHHLPFFZ-UHFFFAOYSA-N
XLogP1.18
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-2-oxo-4-(2-thiomorpholin-4-ylacetyl)-3H-quinoxaline-6-carboxylic acid
CID 134084745
1-butyl-4-[2-(4-methoxycarbonylpiperidin-1-yl)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid
CID 134084752
1-butyl-2-oxo-4-[2-(4-phenylpiperazin-1-yl)acetyl]-3H-quinoxaline-6-carboxylic acid
CID 134084748
1-methyl-2-oxo-4-(2-sulfanylethyl)-3H-quinoxaline-6-carboxylic acid
CID 117030638
1-butyl-2-oxo-4-[2-(4-propan-2-ylphenyl)sulfanylacetyl]-3H-quinoxaline-6-carboxylic acid
CID 134084760
4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid
CID 58748659
1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid
CID 134084825
1-methyl-6-(2-methyl-3-piperidin-1-ylpropanoyl)-3,4-dihydroquinolin-2-one
CID 70580786
2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711309
1-benzyl-2-oxo-4-[2-(4-propan-2-ylphenyl)sulfanylacetyl]-3H-quinoxaline-6-carboxylic acid
CID 134084744
N-[2-(4-methyl-3-oxo-2H-quinoxalin-1-yl)-2-oxoethyl]benzamide
CID 110669518
3-oxo-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylic acid
CID 82057944

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid (CID 10813220) is 1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid is CN1C(=O)CN(C(=O)CN2CCCCC2)c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid?
The InChIKey is UDXYMVPHHLPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-18-13-6-5-12(17(23)24)9-14(13)20(11-15(18)21)16(22)10-19-7-3-2-4-8-19/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,23,24).
What are the key properties of 1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid?
1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 10813220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).