3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite

C14H17IN2O4 — CID 170007516

IUPAC3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite
SMILESO=C1CCC(Nc2ccc(OCCCOI)cc2)C(=O)N1
InChIInChI=1S/C14H17IN2O4/c15-21-9-1-8-20-11-4-2-10(3-5-11)16-12-6-7-13(18)17-14(12)19/h2-5,12,16H,1,6-9H2,(H,17,18,19)
InChIKeyFSLSTTBGUILNTJ-UHFFFAOYSA-N
MW404.20 g/mol
LogP2.04
Rot. Bonds7

About 3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite

3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite (PubChem CID 170007516) has the molecular formula C14H17IN2O4 and a molecular weight of 404.20 g/mol. Its IUPAC name is 3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite.

Molecular Properties

Compound Name3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite
PubChem CID170007516
Molecular FormulaC14H17IN2O4
Molecular Weight404.20 g/mol
Exact Mass404.02
IUPAC Name3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite
SMILESO=C1CCC(Nc2ccc(OCCCOI)cc2)C(=O)N1
InChIInChI=1S/C14H17IN2O4/c15-21-9-1-8-20-11-4-2-10(3-5-11)16-12-6-7-13(18)17-14(12)19/h2-5,12,16H,1,6-9H2,(H,17,18,19)
InChIKeyFSLSTTBGUILNTJ-UHFFFAOYSA-N
XLogP2.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite?
The IUPAC name of 3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite (CID 170007516) is 3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite.
What is the SMILES notation for 3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite?
The canonical SMILES for 3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite is O=C1CCC(Nc2ccc(OCCCOI)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite?
The InChIKey is FSLSTTBGUILNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O4/c15-21-9-1-8-20-11-4-2-10(3-5-11)16-12-6-7-13(18)17-14(12)19/h2-5,12,16H,1,6-9H2,(H,17,18,19).
What are the key properties of 3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite?
3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite has a molecular weight of 404.20 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite is sourced from PubChem (CID 170007516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).