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

C11H22N2O2 — CID 2775873

IUPACN-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide
SMILESCC(=O)NC1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyXQMQBVLLFMNORU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.22
Rot. Bonds1

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

N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide (PubChem CID 2775873) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide
PubChem CID2775873
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide
SMILESCC(=O)NC1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyXQMQBVLLFMNORU-UHFFFAOYSA-N
XLogP0.22
TPSA56.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide?
The IUPAC name of N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide (CID 2775873) is N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide.
What is the SMILES notation for N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide?
The canonical SMILES for N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide is CC(=O)NC1CC(C)(C)[NH+]([O-])C(C)(C)C1.
What is the InChIKey of N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide?
The InChIKey is XQMQBVLLFMNORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14).
What are the key properties of N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide?
N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide is sourced from PubChem (CID 2775873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).