1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C15H19F3N2O2 — CID 84602616

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC1CC(C)CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1
InChIInChI=1S/C15H19F3N2O2/c1-10-5-11(2)7-19(6-10)14(22)9-20-8-12(15(16,17)18)3-4-13(20)21/h3-4,8,10-11H,5-7,9H2,1-2H3
InChIKeyKDMDTNHMTGSLBF-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.37
Rot. Bonds2

About 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 84602616) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID84602616
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC1CC(C)CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1
InChIInChI=1S/C15H19F3N2O2/c1-10-5-11(2)7-19(6-10)14(22)9-20-8-12(15(16,17)18)3-4-13(20)21/h3-4,8,10-11H,5-7,9H2,1-2H3
InChIKeyKDMDTNHMTGSLBF-UHFFFAOYSA-N
XLogP2.37
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 84602616) is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is CC1CC(C)CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is KDMDTNHMTGSLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10-5-11(2)7-19(6-10)14(22)9-20-8-12(15(16,17)18)3-4-13(20)21/h3-4,8,10-11H,5-7,9H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 316.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 84602616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).