N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide

C11H21N2O2+ — CID 2753332

IUPACN-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide
SMILESCC(=O)NC1CC(C)(C)[N+](=O)C(C)(C)C1
InChIInChI=1S/C11H20N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3/p+1
InChIKeyRZUULVZZWUBAGM-UHFFFAOYSA-O
MW213.30 g/mol
LogP1.62
Rot. Bonds1

About N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide

N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide (PubChem CID 2753332) has the molecular formula C11H21N2O2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide
PubChem CID2753332
Molecular FormulaC11H21N2O2+
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC NameN-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide
SMILESCC(=O)NC1CC(C)(C)[N+](=O)C(C)(C)C1
InChIInChI=1S/C11H20N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3/p+1
InChIKeyRZUULVZZWUBAGM-UHFFFAOYSA-O
XLogP1.62
TPSA49.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,6,6-Tetramethyl-4-piperidinyl)acetamide
CID 100241
4-(Acetylamino)-2,2,6,6-tetramethylpiperidyl acetate
CID 708862
4-Acetamido-TEMPO
CID 518988
4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl
CID 2724305
4-Acetamido-2,2,6,6-tetramethyl-1-oxopiperidinium Tetrafluoroborate
CID 2753331
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 579904
2-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 2061009
2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 587902
2-bromo-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 3563802
4-(2-Bromoacetamido)-TEMPO
CID 16211712
N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 729208
2,2,6,6-Tetramethyl-4-(2,2,2-trifluoroacetamido)-1-oxopiperidinium tetrafluoroborate
CID 145721563

Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide?
The IUPAC name of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide (CID 2753332) is N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide.
What is the SMILES notation for N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide?
The canonical SMILES for N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide is CC(=O)NC1CC(C)(C)[N+](=O)C(C)(C)C1.
What is the InChIKey of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide?
The InChIKey is RZUULVZZWUBAGM-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3/p+1.
What are the key properties of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide?
N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide has a molecular weight of 213.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide is sourced from PubChem (CID 2753332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).