3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C14H17F3N2O2 — CID 75511502

IUPAC3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1CC(C)CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C14H17F3N2O2/c1-8-5-9(2)7-19(6-8)13(21)10-3-4-11(14(15,16)17)18-12(10)20/h3-4,8-9H,5-7H2,1-2H3,(H,18,20)
InChIKeyJOKRASXLBKKHHV-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.51
Rot. Bonds1

About 3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 75511502) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID75511502
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1CC(C)CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C14H17F3N2O2/c1-8-5-9(2)7-19(6-8)13(21)10-3-4-11(14(15,16)17)18-12(10)20/h3-4,8-9H,5-7H2,1-2H3,(H,18,20)
InChIKeyJOKRASXLBKKHHV-UHFFFAOYSA-N
XLogP2.51
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 75511502) is 3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is CC1CC(C)CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JOKRASXLBKKHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-5-9(2)7-19(6-8)13(21)10-3-4-11(14(15,16)17)18-12(10)20/h3-4,8-9H,5-7H2,1-2H3,(H,18,20).
What are the key properties of 3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 302.30 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 75511502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).