4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl

C11H20IN2O2 — CID 2724305

IUPAC—
SMILESCC1(C)CC(NC(=O)CI)CC(C)(C)N1[O]
InChIInChI=1S/C11H20IN2O2/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14(10)16/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyUCTVRHAKQRFPEZ-UHFFFAOYSA-N
MW339.20 g/mol
LogP1.90
Rot. Bonds2

About 4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl

4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl (PubChem CID 2724305) has the molecular formula C11H20IN2O2 and a molecular weight of 339.20 g/mol.

Molecular Properties

Compound Name4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl
PubChem CID2724305
Molecular FormulaC11H20IN2O2
Molecular Weight339.20 g/mol
Exact Mass339.06
IUPAC Name—
SMILESCC1(C)CC(NC(=O)CI)CC(C)(C)N1[O]
InChIInChI=1S/C11H20IN2O2/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14(10)16/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyUCTVRHAKQRFPEZ-UHFFFAOYSA-N
XLogP1.90
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl?
The IUPAC name of 4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl (CID 2724305) is not available.
What is the SMILES notation for 4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl?
The canonical SMILES for 4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl is CC1(C)CC(NC(=O)CI)CC(C)(C)N1[O].
What is the InChIKey of 4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl?
The InChIKey is UCTVRHAKQRFPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20IN2O2/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14(10)16/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl?
4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl has a molecular weight of 339.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl is sourced from PubChem (CID 2724305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).