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

C11H14F3N3O — CID 122269539

IUPAC1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCCC(C(F)(F)F)C2)c1=O
InChIInChI=1S/C11H14F3N3O/c1-16-6-4-15-9(10(16)18)17-5-2-3-8(7-17)11(12,13)14/h4,6,8H,2-3,5,7H2,1H3
InChIKeyJHERVNDEYXZLQK-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.56
Rot. Bonds1

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

1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one (PubChem CID 122269539) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one
PubChem CID122269539
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCCC(C(F)(F)F)C2)c1=O
InChIInChI=1S/C11H14F3N3O/c1-16-6-4-15-9(10(16)18)17-5-2-3-8(7-17)11(12,13)14/h4,6,8H,2-3,5,7H2,1H3
InChIKeyJHERVNDEYXZLQK-UHFFFAOYSA-N
XLogP1.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one (CID 122269539) is 1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one is Cn1ccnc(N2CCCC(C(F)(F)F)C2)c1=O.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one?
The InChIKey is JHERVNDEYXZLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-16-6-4-15-9(10(16)18)17-5-2-3-8(7-17)11(12,13)14/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one has a molecular weight of 261.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 122269539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).