2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide

C13H13F3N2O3 — CID 111104905

IUPAC2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(Nc1cc(F)c(F)cc1F)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H13F3N2O3/c14-8-5-10(16)11(6-9(8)15)17-12(20)13(21)18-3-1-7(19)2-4-18/h5-7,19H,1-4H2,(H,17,20)
InChIKeyAWUZCRDCXZACOJ-UHFFFAOYSA-N
MW302.25 g/mol
LogP1.03
Rot. Bonds1

About 2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide

2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide (PubChem CID 111104905) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide
PubChem CID111104905
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(Nc1cc(F)c(F)cc1F)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H13F3N2O3/c14-8-5-10(16)11(6-9(8)15)17-12(20)13(21)18-3-1-7(19)2-4-18/h5-7,19H,1-4H2,(H,17,20)
InChIKeyAWUZCRDCXZACOJ-UHFFFAOYSA-N
XLogP1.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47457467
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47336644
N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 110901558
N-(2,4-difluorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47109120
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
CID 111567096
2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide
CID 110901563
2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)-2-oxoacetamide
CID 103586827
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 18588520
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108529715
(2,4,5-trifluorophenyl)carbamic acid
CID 89413895
N-(5-bromo-2-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 166211702

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide (CID 111104905) is 2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide is O=C(Nc1cc(F)c(F)cc1F)C(=O)N1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide?
The InChIKey is AWUZCRDCXZACOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-8-5-10(16)11(6-9(8)15)17-12(20)13(21)18-3-1-7(19)2-4-18/h5-7,19H,1-4H2,(H,17,20).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide?
2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide has a molecular weight of 302.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 111104905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).