2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one

C13H15F3N2O2 — CID 103717437

IUPAC2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC(C(F)(F)F)C2)c[nH]1
InChIInChI=1S/C13H15F3N2O2/c1-8-5-11(19)10(6-17-8)12(20)18-4-2-3-9(7-18)13(14,15)16/h5-6,9H,2-4,7H2,1H3,(H,17,19)
InChIKeyCCXCOSMXRWKEMJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.10
Rot. Bonds1

About 2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one

2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 103717437) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
PubChem CID103717437
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC(C(F)(F)F)C2)c[nH]1
InChIInChI=1S/C13H15F3N2O2/c1-8-5-11(19)10(6-17-8)12(20)18-4-2-3-9(7-18)13(14,15)16/h5-6,9H,2-4,7H2,1H3,(H,17,19)
InChIKeyCCXCOSMXRWKEMJ-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

6-methyl-4-oxo-1-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 49820780
2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one
CID 91643778
2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 99811768
6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 102554862
(3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium
CID 134842496
2-methyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyridin-4(1H)-one
CID 56876123
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 95555796
2-methyl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 95555797
N,1-dibutyl-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 102494175
3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 103386608
6-methyl-4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-carboxamide
CID 103528786
6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103696314

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one (CID 103717437) is 2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCCC(C(F)(F)F)C2)c[nH]1.
What is the InChIKey of 2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is CCXCOSMXRWKEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8-5-11(19)10(6-17-8)12(20)18-4-2-3-9(7-18)13(14,15)16/h5-6,9H,2-4,7H2,1H3,(H,17,19).
What are the key properties of 2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-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 2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 103717437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).