N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide

C17H24N2O3 — CID 111490436

IUPACN-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
SMILESCCc1ccc(CC)c(NC(=O)C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C17H24N2O3/c1-3-12-7-8-13(4-2)15(10-12)18-16(21)17(22)19-9-5-6-14(20)11-19/h7-8,10,14,20H,3-6,9,11H2,1-2H3,(H,18,21)
InChIKeyGDEREDUXWOVONG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.73
Rot. Bonds3

About N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide

N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide (PubChem CID 111490436) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
PubChem CID111490436
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
SMILESCCc1ccc(CC)c(NC(=O)C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C17H24N2O3/c1-3-12-7-8-13(4-2)15(10-12)18-16(21)17(22)19-9-5-6-14(20)11-19/h7-8,10,14,20H,3-6,9,11H2,1-2H3,(H,18,21)
InChIKeyGDEREDUXWOVONG-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.73
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-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 111797796
N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47336291
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111824454
N-(9-ethylcarbazol-3-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
CID 96563263
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 60654838
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-2-oxoacetamide
CID 95252065
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
CID 97007270
N-(4-hydroxy-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108509533
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide (CID 111490436) is N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide is CCc1ccc(CC)c(NC(=O)C(=O)N2CCCC(O)C2)c1.
What is the InChIKey of N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide?
The InChIKey is GDEREDUXWOVONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-12-7-8-13(4-2)15(10-12)18-16(21)17(22)19-9-5-6-14(20)11-19/h7-8,10,14,20H,3-6,9,11H2,1-2H3,(H,18,21).
What are the key properties of N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide?
N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 111490436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).