1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone

C16H18N4O2 — CID 95821940

IUPAC1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1
InChIInChI=1S/C16H18N4O2/c1-12(21)20-7-3-4-13(11-20)15-9-18-10-16(19-15)22-14-5-2-6-17-8-14/h2,5-6,8-10,13H,3-4,7,11H2,1H3/t13-/m1/s1
InChIKeyGKZUWNZSMLZLMW-CYBMUJFWSA-N
MW298.35 g/mol
LogP2.39
Rot. Bonds3

About 1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone

1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone (PubChem CID 95821940) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
PubChem CID95821940
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1
InChIInChI=1S/C16H18N4O2/c1-12(21)20-7-3-4-13(11-20)15-9-18-10-16(19-15)22-14-5-2-6-17-8-14/h2,5-6,8-10,13H,3-4,7,11H2,1H3/t13-/m1/s1
InChIKeyGKZUWNZSMLZLMW-CYBMUJFWSA-N
XLogP2.39
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825262
1-[(3R)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825263
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine
CID 95821868
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3S)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95844058
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95844059
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 124978644
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone (CID 95821940) is 1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1.
What is the InChIKey of 1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is GKZUWNZSMLZLMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12(21)20-7-3-4-13(11-20)15-9-18-10-16(19-15)22-14-5-2-6-17-8-14/h2,5-6,8-10,13H,3-4,7,11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone?
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 298.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95821940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).