3,4-diiodopiperidin-2-one

C5H7I2NO — CID 67270364

IUPAC3,4-diiodopiperidin-2-one
SMILESO=C1NCCC(I)C1I
InChIInChI=1S/C5H7I2NO/c6-3-1-2-8-5(9)4(3)7/h3-4H,1-2H2,(H,8,9)
InChIKeyCNRRHLUKFORHEL-UHFFFAOYSA-N
MW350.93 g/mol
LogP1.11
Rot. Bonds

About 3,4-diiodopiperidin-2-one

3,4-diiodopiperidin-2-one (PubChem CID 67270364) has the molecular formula C5H7I2NO and a molecular weight of 350.93 g/mol. Its IUPAC name is 3,4-diiodopiperidin-2-one.

Molecular Properties

Compound Name3,4-diiodopiperidin-2-one
PubChem CID67270364
Molecular FormulaC5H7I2NO
Molecular Weight350.93 g/mol
Exact Mass350.86
IUPAC Name3,4-diiodopiperidin-2-one
SMILESO=C1NCCC(I)C1I
InChIInChI=1S/C5H7I2NO/c6-3-1-2-8-5(9)4(3)7/h3-4H,1-2H2,(H,8,9)
InChIKeyCNRRHLUKFORHEL-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,4-diiodopiperidin-2-one?
The IUPAC name of 3,4-diiodopiperidin-2-one (CID 67270364) is 3,4-diiodopiperidin-2-one.
What is the SMILES notation for 3,4-diiodopiperidin-2-one?
The canonical SMILES for 3,4-diiodopiperidin-2-one is O=C1NCCC(I)C1I.
What is the InChIKey of 3,4-diiodopiperidin-2-one?
The InChIKey is CNRRHLUKFORHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7I2NO/c6-3-1-2-8-5(9)4(3)7/h3-4H,1-2H2,(H,8,9).
What are the key properties of 3,4-diiodopiperidin-2-one?
3,4-diiodopiperidin-2-one has a molecular weight of 350.93 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diiodopiperidin-2-one is sourced from PubChem (CID 67270364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).