(6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one

C11H12F3N3O — CID 129488092

IUPAC(6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
SMILESC[C@@H]1CN(c2cccc(C(F)(F)F)n2)CC(=O)N1
InChIInChI=1S/C11H12F3N3O/c1-7-5-17(6-10(18)15-7)9-4-2-3-8(16-9)11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,18)/t7-/m1/s1
InChIKeyNNKGEVDGZJSYCR-SSDOTTSWSA-N
MW259.23 g/mol
LogP1.43
Rot. Bonds1

About (6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one

(6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one (PubChem CID 129488092) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is (6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name(6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
PubChem CID129488092
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name(6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
SMILESC[C@@H]1CN(c2cccc(C(F)(F)F)n2)CC(=O)N1
InChIInChI=1S/C11H12F3N3O/c1-7-5-17(6-10(18)15-7)9-4-2-3-8(16-9)11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,18)/t7-/m1/s1
InChIKeyNNKGEVDGZJSYCR-SSDOTTSWSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The IUPAC name of (6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one (CID 129488092) is (6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for (6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The canonical SMILES for (6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one is C[C@@H]1CN(c2cccc(C(F)(F)F)n2)CC(=O)N1.
What is the InChIKey of (6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The InChIKey is NNKGEVDGZJSYCR-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-7-5-17(6-10(18)15-7)9-4-2-3-8(16-9)11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,18)/t7-/m1/s1.
What are the key properties of (6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
(6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one has a molecular weight of 259.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 129488092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).