2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide

C18H27N3O2 — CID 108508905

IUPAC2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide
SMILESCC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C18H27N3O2/c1-17(2)10-14(19)11-18(3,4)21(17)16(23)15(22)20-12-13-8-6-5-7-9-13/h5-9,14H,10-12,19H2,1-4H3,(H,20,22)
InChIKeyXCFVGIUKAGXWAY-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide

2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide (PubChem CID 108508905) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide
PubChem CID108508905
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide
SMILESCC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C18H27N3O2/c1-17(2)10-14(19)11-18(3,4)21(17)16(23)15(22)20-12-13-8-6-5-7-9-13/h5-9,14H,10-12,19H2,1-4H3,(H,20,22)
InChIKeyXCFVGIUKAGXWAY-UHFFFAOYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.81
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-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide
CID 108507723
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 108505823
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-methyl-2-oxoacetamide
CID 108522425
benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 135396711
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-oxoacetamide
CID 108522630
N'-benzyloxamide
CID 561416
N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108508950
N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44901827
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
(1R)-N-benzyl-2,2-diphenylcyclopropane-1-carboxamide
CID 1247410
N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
CID 110749603

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide?
The IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide (CID 108508905) is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide?
The canonical SMILES for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide is CC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)NCc1ccccc1.
What is the InChIKey of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide?
The InChIKey is XCFVGIUKAGXWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-17(2)10-14(19)11-18(3,4)21(17)16(23)15(22)20-12-13-8-6-5-7-9-13/h5-9,14H,10-12,19H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide?
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide has a molecular weight of 317.43 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide is sourced from PubChem (CID 108508905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).