[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone

C19H20N6O2 — CID 126887928

IUPAC[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCOc1cc(NC2CCN(C(=O)c3cnc4ccccc4n3)CC2)ncn1
InChIInChI=1S/C19H20N6O2/c1-27-18-10-17(21-12-22-18)23-13-6-8-25(9-7-13)19(26)16-11-20-14-4-2-3-5-15(14)24-16/h2-5,10-13H,6-9H2,1H3,(H,21,22,23)
InChIKeyHNEBRSAJNMHCBE-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.15
Rot. Bonds4

About [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone

[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 126887928) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID126887928
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCOc1cc(NC2CCN(C(=O)c3cnc4ccccc4n3)CC2)ncn1
InChIInChI=1S/C19H20N6O2/c1-27-18-10-17(21-12-22-18)23-13-6-8-25(9-7-13)19(26)16-11-20-14-4-2-3-5-15(14)24-16/h2-5,10-13H,6-9H2,1H3,(H,21,22,23)
InChIKeyHNEBRSAJNMHCBE-UHFFFAOYSA-N
XLogP2.15
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone with MolForge

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Related Compounds

[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126887972
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 99814672
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
(5-tert-butyl-1H-pyrazol-3-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126888003
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887938
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273
3,4-dihydro-1H-isochromen-1-yl-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887984
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 129355538
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone (CID 126887928) is [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone is COc1cc(NC2CCN(C(=O)c3cnc4ccccc4n3)CC2)ncn1.
What is the InChIKey of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is HNEBRSAJNMHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-27-18-10-17(21-12-22-18)23-13-6-8-25(9-7-13)19(26)16-11-20-14-4-2-3-5-15(14)24-16/h2-5,10-13H,6-9H2,1H3,(H,21,22,23).
What are the key properties of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone?
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 364.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 126887928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).