N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide

C13H14F2N2O3 — CID 47457467

IUPACN-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
SMILESO=C(Nc1cccc(F)c1F)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H14F2N2O3/c14-9-2-1-3-10(11(9)15)16-12(19)13(20)17-6-4-8(18)5-7-17/h1-3,8,18H,4-7H2,(H,16,19)
InChIKeyYVMIBIOYCIDMLR-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.89
Rot. Bonds1

About N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide

N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide (PubChem CID 47457467) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
PubChem CID47457467
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC NameN-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
SMILESO=C(Nc1cccc(F)c1F)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H14F2N2O3/c14-9-2-1-3-10(11(9)15)16-12(19)13(20)17-6-4-8(18)5-7-17/h1-3,8,18H,4-7H2,(H,16,19)
InChIKeyYVMIBIOYCIDMLR-UHFFFAOYSA-N
XLogP0.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide
CID 111104905
N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 110901558
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47336644
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798569
N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide
CID 146146796
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide
CID 95635039
4-benzamido-N-(2,3-difluorophenyl)piperidine-1-carboxamide
CID 86856267
N-(2-cyano-3-fluorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43580810
[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 111459530
2-(1,4-diazepan-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 43327583
2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 44902185

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide (CID 47457467) is N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide is O=C(Nc1cccc(F)c1F)C(=O)N1CCC(O)CC1.
What is the InChIKey of N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
The InChIKey is YVMIBIOYCIDMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-9-2-1-3-10(11(9)15)16-12(19)13(20)17-6-4-8(18)5-7-17/h1-3,8,18H,4-7H2,(H,16,19).
What are the key properties of N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide has a molecular weight of 284.26 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 47457467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).