3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide

C18H18N6O2 — CID 99932155

IUPAC3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2cnccn2)C1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H18N6O2/c25-17(16-18(26)23-14-6-2-1-5-13(14)22-16)21-12-4-3-9-24(11-12)15-10-19-7-8-20-15/h1-2,5-8,10,12H,3-4,9,11H2,(H,21,25)(H,23,26)/t12-/m1/s1
InChIKeyQPEIAMKCBIWCAY-GFCCVEGCSA-N
MW350.38 g/mol
LogP1.11
Rot. Bonds3

About 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide

3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide (PubChem CID 99932155) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide
PubChem CID99932155
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2cnccn2)C1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H18N6O2/c25-17(16-18(26)23-14-6-2-1-5-13(14)22-16)21-12-4-3-9-24(11-12)15-10-19-7-8-20-15/h1-2,5-8,10,12H,3-4,9,11H2,(H,21,25)(H,23,26)/t12-/m1/s1
InChIKeyQPEIAMKCBIWCAY-GFCCVEGCSA-N
XLogP1.11
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide with MolForge

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Related Compounds

N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 119067566
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
2-(2-methylbenzimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 119072189
N-(1H-benzimidazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38790029
2-(1-methylimidazol-2-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449446
2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449447
2,6-dimethoxy-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyridine-3-carboxamide
CID 99976530
methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate
CID 50952721
2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 99930841
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
CID 126429000
3-(4-methoxyphenyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 126442521
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide?
The IUPAC name of 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide (CID 99932155) is 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide?
The canonical SMILES for 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide is O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide?
The InChIKey is QPEIAMKCBIWCAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17(16-18(26)23-14-6-2-1-5-13(14)22-16)21-12-4-3-9-24(11-12)15-10-19-7-8-20-15/h1-2,5-8,10,12H,3-4,9,11H2,(H,21,25)(H,23,26)/t12-/m1/s1.
What are the key properties of 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide?
3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 99932155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).