[(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite

C10H17FIN3O3 — CID 121246999

IUPAC[(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite
SMILESCNC(CCN=O)C(=O)N1CC[C@H](OI)[C@H](F)C1
InChIInChI=1S/C10H17FIN3O3/c1-13-8(2-4-14-17)10(16)15-5-3-9(18-12)7(11)6-15/h7-9,13H,2-6H2,1H3/t7-,8?,9+/m1/s1
InChIKeyXRMLONCHTZIYRP-NBXIYJJMSA-N
MW373.17 g/mol
LogP1.04
Rot. Bonds6

About [(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite

[(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite (PubChem CID 121246999) has the molecular formula C10H17FIN3O3 and a molecular weight of 373.17 g/mol. Its IUPAC name is [(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite
PubChem CID121246999
Molecular FormulaC10H17FIN3O3
Molecular Weight373.17 g/mol
Exact Mass373.03
IUPAC Name[(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite
SMILESCNC(CCN=O)C(=O)N1CC[C@H](OI)[C@H](F)C1
InChIInChI=1S/C10H17FIN3O3/c1-13-8(2-4-14-17)10(16)15-5-3-9(18-12)7(11)6-15/h7-9,13H,2-6H2,1H3/t7-,8?,9+/m1/s1
InChIKeyXRMLONCHTZIYRP-NBXIYJJMSA-N
XLogP1.04
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite?
The IUPAC name of [(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite (CID 121246999) is [(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite.
What is the SMILES notation for [(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite?
The canonical SMILES for [(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite is CNC(CCN=O)C(=O)N1CC[C@H](OI)[C@H](F)C1.
What is the InChIKey of [(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite?
The InChIKey is XRMLONCHTZIYRP-NBXIYJJMSA-N. The full InChI is InChI=1S/C10H17FIN3O3/c1-13-8(2-4-14-17)10(16)15-5-3-9(18-12)7(11)6-15/h7-9,13H,2-6H2,1H3/t7-,8?,9+/m1/s1.
What are the key properties of [(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite?
[(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite has a molecular weight of 373.17 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-fluoro-1-[2-(methylamino)-4-nitrosobutanoyl]piperidin-4-yl] hypoiodite is sourced from PubChem (CID 121246999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).