5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one

C13H17F3N2O — CID 178111901

IUPAC5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN1CCC(Cc2c[nH]c(=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2O/c1-18-4-2-9(3-5-18)6-10-8-17-12(19)7-11(10)13(14,15)16/h7-9H,2-6H2,1H3,(H,17,19)
InChIKeyWZBXJEJIGBBEMD-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.28
Rot. Bonds2

About 5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one

5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 178111901) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID178111901
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN1CCC(Cc2c[nH]c(=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2O/c1-18-4-2-9(3-5-18)6-10-8-17-12(19)7-11(10)13(14,15)16/h7-9H,2-6H2,1H3,(H,17,19)
InChIKeyWZBXJEJIGBBEMD-UHFFFAOYSA-N
XLogP2.28
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 178111901) is 5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one is CN1CCC(Cc2c[nH]c(=O)cc2C(F)(F)F)CC1.
What is the InChIKey of 5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WZBXJEJIGBBEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-18-4-2-9(3-5-18)6-10-8-17-12(19)7-11(10)13(14,15)16/h7-9H,2-6H2,1H3,(H,17,19).
What are the key properties of 5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 178111901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).