6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C13H15F3N2O2 — CID 86768745

IUPAC6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C13H15F3N2O2/c1-8-4-5-10(11(19)17-8)12(20)18-6-2-3-9(7-18)13(14,15)16/h4-5,9H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyPTGMVHMIPVSOGX-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.10
Rot. Bonds1

About 6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 86768745) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID86768745
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C13H15F3N2O2/c1-8-4-5-10(11(19)17-8)12(20)18-6-2-3-9(7-18)13(14,15)16/h4-5,9H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyPTGMVHMIPVSOGX-UHFFFAOYSA-N
XLogP2.10
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 146323231
3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 24605953
N-[(1R)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044492
N-[(1S)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044495
N-(3-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 40114092
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 45842696
1-(2-oxo-1H-pyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722647
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 53506889
N-ethyl-N-(2-ethylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 53552804
N-(2-cyclohexylethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 53560021
3-({2-[2-(Dimethylamino)ethyl]-1-piperidinyl}carbonyl)-6-(trifluoromethyl)-2-pyridinol
CID 56913184
3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 60708509

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 86768745) is 6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCCC(C(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PTGMVHMIPVSOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8-4-5-10(11(19)17-8)12(20)18-6-2-3-9(7-18)13(14,15)16/h4-5,9H,2-3,6-7H2,1H3,(H,17,19).
What are the key properties of 6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 288.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 86768745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).