N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide

C17H24N2O3 — CID 110901558

IUPACN-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)N1CCC(O)CC1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)13-6-4-5-7-14(13)18-15(21)16(22)19-10-8-12(20)9-11-19/h4-7,12,20H,8-11H2,1-3H3,(H,18,21)
InChIKeyNCAATRGHIXQDRX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.91
Rot. Bonds1

About N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide

N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide (PubChem CID 110901558) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
PubChem CID110901558
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)N1CCC(O)CC1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)13-6-4-5-7-14(13)18-15(21)16(22)19-10-8-12(20)9-11-19/h4-7,12,20H,8-11H2,1-3H3,(H,18,21)
InChIKeyNCAATRGHIXQDRX-UHFFFAOYSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.91
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-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504628
N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47457467
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
N-(2-tert-butylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959201
methyl 1-[2-(2-tert-butylanilino)-2-oxoacetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate
CID 138616715
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
N'-(2-tert-butylphenyl)-N-cycloheptyloxamide
CID 108530177
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide
CID 111104905
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide
CID 110901563
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515358

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide (CID 110901558) is N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide is CC(C)(C)c1ccccc1NC(=O)C(=O)N1CCC(O)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
The InChIKey is NCAATRGHIXQDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)13-6-4-5-7-14(13)18-15(21)16(22)19-10-8-12(20)9-11-19/h4-7,12,20H,8-11H2,1-3H3,(H,18,21).
What are the key properties of N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 110901558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).