3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C13H15F3N2O4 — CID 56909789

IUPAC3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C13H15F3N2O4/c14-13(15,16)10-2-1-8(11(21)17-10)12(22)18-4-3-7(6-19)9(20)5-18/h1-2,7,9,19-20H,3-6H2,(H,17,21)/t7-,9+/m1/s1
InChIKeyGANGEGAWCAOMFX-APPZFPTMSA-N
MW320.27 g/mol
LogP0.21
Rot. Bonds2

About 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 56909789) has the molecular formula C13H15F3N2O4 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID56909789
Molecular FormulaC13H15F3N2O4
Molecular Weight320.27 g/mol
Exact Mass320.10
IUPAC Name3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C13H15F3N2O4/c14-13(15,16)10-2-1-8(11(21)17-10)12(22)18-4-3-7(6-19)9(20)5-18/h1-2,7,9,19-20H,3-6H2,(H,17,21)/t7-,9+/m1/s1
InChIKeyGANGEGAWCAOMFX-APPZFPTMSA-N
XLogP0.21
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

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Related Compounds

3-{[4-(1-Hydroxy-3-methylbutyl)-1-piperidinyl]carbonyl}-6-(trifluoromethyl)-2-pyridinol
CID 70780342
3-({3-[(Dimethylamino)methyl]-3-hydroxy-1-piperidinyl}carbonyl)-6-(trifluoromethyl)-2-pyridinol
CID 56889511
3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43415900
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
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 60957131
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63294748
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65994558
(1R*,3S*)-7-{[2-hydroxy-6-(trifluoromethyl)-3-pyridinyl]carbonyl}-7-azaspiro[3.5]nonane-1,3-diol
CID 72919559
3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 95712740
3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 95712741

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 56909789) is 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CC[C@H](CO)[C@@H](O)C1.
What is the InChIKey of 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GANGEGAWCAOMFX-APPZFPTMSA-N. The full InChI is InChI=1S/C13H15F3N2O4/c14-13(15,16)10-2-1-8(11(21)17-10)12(22)18-4-3-7(6-19)9(20)5-18/h1-2,7,9,19-20H,3-6H2,(H,17,21)/t7-,9+/m1/s1.
What are the key properties of 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 320.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 56909789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).