3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C12H13F3N2O3 — CID 43415900

IUPAC3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCCC(O)C1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-4-3-8(10(19)16-9)11(20)17-5-1-2-7(18)6-17/h3-4,7,18H,1-2,5-6H2,(H,16,19)
InChIKeyJJKCZCQDGNDBME-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.99
Rot. Bonds1

About 3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 43415900) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID43415900
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCCC(O)C1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-4-3-8(10(19)16-9)11(20)17-5-1-2-7(18)6-17/h3-4,7,18H,1-2,5-6H2,(H,16,19)
InChIKeyJJKCZCQDGNDBME-UHFFFAOYSA-N
XLogP0.99
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-hydroxypiperidine-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-{[4-(1-Hydroxy-3-methylbutyl)-1-piperidinyl]carbonyl}-6-(trifluoromethyl)-2-pyridinol
CID 70780342
1-(2-Hydroxy-3-morpholin-4-ylpropyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 53530078
3-({3-[(Dimethylamino)methyl]-3-hydroxy-1-piperidinyl}carbonyl)-6-(trifluoromethyl)-2-pyridinol
CID 56889511
3-(4-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43416114
3-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43421164
3-[3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43422174
1'-{[2-Hydroxy-6-(trifluoromethyl)-3-pyridinyl]carbonyl}-1,4'-bipiperidin-4-ol
CID 56906935
3-{[(3R*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]carbonyl}-6-(trifluoromethyl)-2-pyridinol
CID 56909789
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 60957131
N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 62333492
N-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 62365272
3-(3-hydroxypyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 62917439

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 43415900) is 3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCCC(O)C1.
What is the InChIKey of 3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JJKCZCQDGNDBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)9-4-3-8(10(19)16-9)11(20)17-5-1-2-7(18)6-17/h3-4,7,18H,1-2,5-6H2,(H,16,19).
What are the key properties of 3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 290.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 43415900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).