1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one

C10H10F3N3O — CID 71226134

IUPAC1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one
SMILESO=C1CCCN(c2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)8-4-15-9(5-14-8)16-3-1-2-7(17)6-16/h4-5H,1-3,6H2
InChIKeyCOFPJCKSCFCARD-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.66
Rot. Bonds1

About 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one

1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one (PubChem CID 71226134) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one
PubChem CID71226134
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one
SMILESO=C1CCCN(c2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)8-4-15-9(5-14-8)16-3-1-2-7(17)6-16/h4-5H,1-3,6H2
InChIKeyCOFPJCKSCFCARD-UHFFFAOYSA-N
XLogP1.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-Difluoropiperidin-1-yl)-6-methylpyrazine
CID 90265145
2-(4,4-Difluoropiperidin-1-yl)-3-methylpyrazine
CID 121184652
5-Ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine
CID 141412665
2-Piperidin-1-yl-5-(trifluoromethyl)pyrazine;uranium
CID 144513435
1-[6-(Trifluoromethyl)pyrazin-2-yl]piperidine-2-carboxamide
CID 163263574
1-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]piperidine-2-carboxamide
CID 167035338
2-(4,4-Difluoropiperidin-1-yl)-6-ethynylpyrazine
CID 169266276
1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 170716488
1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxamide
CID 176212083
2-(Difluoromethyl)-6-(4,4-difluoropiperidin-1-yl)pyrazine
CID 178072917
2-(Difluoromethyl)-5-(4,4-difluoropiperidin-1-yl)-3-(trifluoromethyl)pyrazine
CID 178072959
2-(4,4-Difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine
CID 178073333

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one?
The IUPAC name of 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one (CID 71226134) is 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one.
What is the SMILES notation for 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one?
The canonical SMILES for 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one is O=C1CCCN(c2cnc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one?
The InChIKey is COFPJCKSCFCARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)8-4-15-9(5-14-8)16-3-1-2-7(17)6-16/h4-5H,1-3,6H2.
What are the key properties of 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one?
1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one has a molecular weight of 245.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-one is sourced from PubChem (CID 71226134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).