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

C18H26N2O2 — CID 108504628

IUPACN-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C18H26N2O2/c1-13-9-11-20(12-10-13)17(22)16(21)19-15-8-6-5-7-14(15)18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,19,21)
InChIKeyQLZGSZPLIMADLJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.18
Rot. Bonds1

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

N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108504628) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108504628
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C18H26N2O2/c1-13-9-11-20(12-10-13)17(22)16(21)19-15-8-6-5-7-14(15)18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,19,21)
InChIKeyQLZGSZPLIMADLJ-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 110901558
N-(2-tert-butylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959201
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
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)-N-cycloheptyloxamide
CID 108530177
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide
CID 124605766
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336374
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504667
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-[4-(diethylamino)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504633

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (CID 108504628) is N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is CC1CCN(C(=O)C(=O)Nc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is QLZGSZPLIMADLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-9-11-20(12-10-13)17(22)16(21)19-15-8-6-5-7-14(15)18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,19,21).
What are the key properties of N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 302.42 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108504628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).