1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone

C11H14ClN3O — CID 95804809

IUPAC1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@H]1c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O/c1-8(16)15-5-3-2-4-10(15)9-6-13-7-11(12)14-9/h6-7,10H,2-5H2,1H3/t10-/m0/s1
InChIKeyZPPLJNZKJNTQBJ-JTQLQIEISA-N
MW239.71 g/mol
LogP2.20
Rot. Bonds1

About 1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone

1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone (PubChem CID 95804809) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
PubChem CID95804809
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@H]1c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O/c1-8(16)15-5-3-2-4-10(15)9-6-13-7-11(12)14-9/h6-7,10H,2-5H2,1H3/t10-/m0/s1
InChIKeyZPPLJNZKJNTQBJ-JTQLQIEISA-N
XLogP2.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021298
1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021297
1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95826460
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95826518
1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95826525
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95838452
1-[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110267976
1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95836171
N-[[6-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110268251
1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956770
1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984813

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone (CID 95804809) is 1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@H]1c1cncc(Cl)n1.
What is the InChIKey of 1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is ZPPLJNZKJNTQBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-8(16)15-5-3-2-4-10(15)9-6-13-7-11(12)14-9/h6-7,10H,2-5H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone?
1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 239.71 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95804809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).