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

C16H18N4O — CID 95826518

IUPAC1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1c1cncc(-c2cccnc2)n1
InChIInChI=1S/C16H18N4O/c1-12(21)20-8-3-2-6-16(20)15-11-18-10-14(19-15)13-5-4-7-17-9-13/h4-5,7,9-11,16H,2-3,6,8H2,1H3/t16-/m1/s1
InChIKeyCFFNPQTWSYJKPH-MRXNPFEDSA-N
MW282.35 g/mol
LogP2.61
Rot. Bonds2

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

1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone (PubChem CID 95826518) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
PubChem CID95826518
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1c1cncc(-c2cccnc2)n1
InChIInChI=1S/C16H18N4O/c1-12(21)20-8-3-2-6-16(20)15-11-18-10-14(19-15)13-5-4-7-17-9-13/h4-5,7,9-11,16H,2-3,6,8H2,1H3/t16-/m1/s1
InChIKeyCFFNPQTWSYJKPH-MRXNPFEDSA-N
XLogP2.61
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95826525
1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
CID 95804809
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 141220899
1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95826460
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 102539175
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 110105873
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95838452
3-[6-[1-(2-methoxyacetyl)pyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 110120276
[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099796
1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110096335

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone (CID 95826518) is 1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@@H]1c1cncc(-c2cccnc2)n1.
What is the InChIKey of 1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is CFFNPQTWSYJKPH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(21)20-8-3-2-6-16(20)15-11-18-10-14(19-15)13-5-4-7-17-9-13/h4-5,7,9-11,16H,2-3,6,8H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone?
1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 282.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95826518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).