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

C10H12F3N3O — CID 115656902

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-5-16(6-7)8-9(17)15-4-3-14-8/h3-4,7H,1-2,5-6H2,(H,15,17)
InChIKeyTUSLYBYIECUCDP-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.55
Rot. Bonds1

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

3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 115656902) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID115656902
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-5-16(6-7)8-9(17)15-4-3-14-8/h3-4,7H,1-2,5-6H2,(H,15,17)
InChIKeyTUSLYBYIECUCDP-UHFFFAOYSA-N
XLogP1.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one (CID 115656902) is 3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is TUSLYBYIECUCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-5-16(6-7)8-9(17)15-4-3-14-8/h3-4,7H,1-2,5-6H2,(H,15,17).
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one?
3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 247.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 115656902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).