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

C17H23F3N2O3 — CID 70780342

IUPAC3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)CC(O)C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1
InChIInChI=1S/C17H23F3N2O3/c1-10(2)9-13(23)11-5-7-22(8-6-11)16(25)12-3-4-14(17(18,19)20)21-15(12)24/h3-4,10-11,13,23H,5-9H2,1-2H3,(H,21,24)
InChIKeyQYWTVTMJRATRQU-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.65
Rot. Bonds4

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

3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 70780342) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID70780342
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)CC(O)C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1
InChIInChI=1S/C17H23F3N2O3/c1-10(2)9-13(23)11-5-7-22(8-6-11)16(25)12-3-4-14(17(18,19)20)21-15(12)24/h3-4,10-11,13,23H,5-9H2,1-2H3,(H,21,24)
InChIKeyQYWTVTMJRATRQU-UHFFFAOYSA-N
XLogP2.65
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[4-(1-Hydroxy-3-methylbutyl)-1-piperidinyl]carbonyl}-6-isopropyl-2-pyridinol
CID 70769210
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-{[(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-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65994558
3-{[3-Ethyl-3-(hydroxymethyl)-1-piperidinyl]carbonyl}-6-(trifluoromethyl)-2-pyridinol
CID 72857625
(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
3-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 96406694
3-[4-[(1R)-1-hydroxy-3-methylbutyl]piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 96406695

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 70780342) is 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is CC(C)CC(O)C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QYWTVTMJRATRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-10(2)9-13(23)11-5-7-22(8-6-11)16(25)12-3-4-14(17(18,19)20)21-15(12)24/h3-4,10-11,13,23H,5-9H2,1-2H3,(H,21,24).
What are the key properties of 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 360.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 70780342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).