N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide

C15H18F2N2O3 — CID 108522156

IUPACN-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1c(F)cccc1F)C(=O)N1CCCCC1CCO
InChIInChI=1S/C15H18F2N2O3/c16-11-5-3-6-12(17)13(11)18-14(21)15(22)19-8-2-1-4-10(19)7-9-20/h3,5-6,10,20H,1-2,4,7-9H2,(H,18,21)
InChIKeyZEVKTDGYQPEWRX-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.67
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide

N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 108522156) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID108522156
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC NameN-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1c(F)cccc1F)C(=O)N1CCCCC1CCO
InChIInChI=1S/C15H18F2N2O3/c16-11-5-3-6-12(17)13(11)18-14(21)15(22)19-8-2-1-4-10(19)7-9-20/h3,5-6,10,20H,1-2,4,7-9H2,(H,18,21)
InChIKeyZEVKTDGYQPEWRX-UHFFFAOYSA-N
XLogP1.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.67
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

N-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108520894
N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108512179
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501493
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108532221
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108527661
N-(2,6-difluorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990928
N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide
CID 108529491
3-fluoro-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 81497850
[2-(ethylamino)-3-fluorophenyl]-(2-propylpiperidin-1-yl)methanone
CID 83046307

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide (CID 108522156) is N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide is O=C(Nc1c(F)cccc1F)C(=O)N1CCCCC1CCO.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is ZEVKTDGYQPEWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c16-11-5-3-6-12(17)13(11)18-14(21)15(22)19-8-2-1-4-10(19)7-9-20/h3,5-6,10,20H,1-2,4,7-9H2,(H,18,21).
What are the key properties of N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 312.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108522156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).