2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C11H21IN2O — CID 22895097

IUPAC2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CI)CC(C)(C)N1
InChIInChI=1S/C11H21IN2O/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14-10/h8,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyDGIDLXQSBXTYET-UHFFFAOYSA-N
MW324.21 g/mol
LogP1.85
Rot. Bonds2

About 2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 22895097) has the molecular formula C11H21IN2O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID22895097
Molecular FormulaC11H21IN2O
Molecular Weight324.21 g/mol
Exact Mass324.07
IUPAC Name2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CI)CC(C)(C)N1
InChIInChI=1S/C11H21IN2O/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14-10/h8,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyDGIDLXQSBXTYET-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 22895097) is 2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)CI)CC(C)(C)N1.
What is the InChIKey of 2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is DGIDLXQSBXTYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IN2O/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14-10/h8,14H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 324.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 22895097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).