2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide

C16H31N3O2 — CID 108522614

IUPAC2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide
SMILESCC(C)CCNC(=O)C(=O)N1C(C)(C)CC(N)CC1(C)C
InChIInChI=1S/C16H31N3O2/c1-11(2)7-8-18-13(20)14(21)19-15(3,4)9-12(17)10-16(19,5)6/h11-12H,7-10,17H2,1-6H3,(H,18,20)
InChIKeyWNPXWTOZNATQDY-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds3

About 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide

2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide (PubChem CID 108522614) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide
PubChem CID108522614
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide
SMILESCC(C)CCNC(=O)C(=O)N1C(C)(C)CC(N)CC1(C)C
InChIInChI=1S/C16H31N3O2/c1-11(2)7-8-18-13(20)14(21)19-15(3,4)9-12(17)10-16(19,5)6/h11-12H,7-10,17H2,1-6H3,(H,18,20)
InChIKeyWNPXWTOZNATQDY-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide?
The IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide (CID 108522614) is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide is CC(C)CCNC(=O)C(=O)N1C(C)(C)CC(N)CC1(C)C.
What is the InChIKey of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide?
The InChIKey is WNPXWTOZNATQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11(2)7-8-18-13(20)14(21)19-15(3,4)9-12(17)10-16(19,5)6/h11-12H,7-10,17H2,1-6H3,(H,18,20).
What are the key properties of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide?
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(3-methylbutyl)-2-oxoacetamide has a molecular weight of 297.44 g/mol, XLogP of 1.66, 3 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-(3-methylbutyl)-2-oxoacetamide is sourced from PubChem (CID 108522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).