3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C13H15F3N2O3 — CID 80702389

IUPAC3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1(O)CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1
InChIInChI=1S/C13H15F3N2O3/c1-12(21)4-6-18(7-5-12)11(20)8-2-3-9(13(14,15)16)17-10(8)19/h2-3,21H,4-7H2,1H3,(H,17,19)
InChIKeyNTFOFPKRFKJPRD-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.38
Rot. Bonds1

About 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 80702389) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID80702389
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1(O)CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1
InChIInChI=1S/C13H15F3N2O3/c1-12(21)4-6-18(7-5-12)11(20)8-2-3-9(13(14,15)16)17-10(8)19/h2-3,21H,4-7H2,1H3,(H,17,19)
InChIKeyNTFOFPKRFKJPRD-UHFFFAOYSA-N
XLogP1.38
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-({3-[(Dimethylamino)methyl]-3-hydroxy-1-piperidinyl}carbonyl)-6-(trifluoromethyl)-2-pyridinol
CID 56889511
3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 24605953
3-(4-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43416114
3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 60708509
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 60957131
N-(2-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110034
N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65112623
3-(3-hydroxy-3-propylazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 65929558
3-(3,5-dimethylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 75511502
6-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 86768745
3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 95175145
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 95175146

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 80702389) is 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is CC1(O)CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1.
What is the InChIKey of 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is NTFOFPKRFKJPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-12(21)4-6-18(7-5-12)11(20)8-2-3-9(13(14,15)16)17-10(8)19/h2-3,21H,4-7H2,1H3,(H,17,19).
What are the key properties of 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 304.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 80702389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).