5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

C12H15F3N2O — CID 176905881

IUPAC5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN1CCCC(c2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O/c1-17-4-2-3-8(7-17)9-6-16-11(18)5-10(9)12(13,14)15/h5-6,8H,2-4,7H2,1H3,(H,16,18)
InChIKeyOEHLBAAFSINHIO-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.20
Rot. Bonds1

About 5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 176905881) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID176905881
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN1CCCC(c2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O/c1-17-4-2-3-8(7-17)9-6-16-11(18)5-10(9)12(13,14)15/h5-6,8H,2-4,7H2,1H3,(H,16,18)
InChIKeyOEHLBAAFSINHIO-UHFFFAOYSA-N
XLogP2.20
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 176905881) is 5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is CN1CCCC(c2c[nH]c(=O)cc2C(F)(F)F)C1.
What is the InChIKey of 5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OEHLBAAFSINHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-17-4-2-3-8(7-17)9-6-16-11(18)5-10(9)12(13,14)15/h5-6,8H,2-4,7H2,1H3,(H,16,18).
What are the key properties of 5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 260.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 176905881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).