[4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate

C16H23IN2O4 — CID 174970057

IUPAC[4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(CNC(=O)c2ccoc2I)CCNCC1
InChIInChI=1S/C16H23IN2O4/c1-15(2,3)14(21)23-16(5-7-18-8-6-16)10-19-13(20)11-4-9-22-12(11)17/h4,9,18H,5-8,10H2,1-3H3,(H,19,20)
InChIKeyGTFPKIPIUULXND-UHFFFAOYSA-N
MW434.27 g/mol
LogP2.33
Rot. Bonds4

About [4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate

[4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate (PubChem CID 174970057) has the molecular formula C16H23IN2O4 and a molecular weight of 434.27 g/mol. Its IUPAC name is [4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate
PubChem CID174970057
Molecular FormulaC16H23IN2O4
Molecular Weight434.27 g/mol
Exact Mass434.07
IUPAC Name[4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(CNC(=O)c2ccoc2I)CCNCC1
InChIInChI=1S/C16H23IN2O4/c1-15(2,3)14(21)23-16(5-7-18-8-6-16)10-19-13(20)11-4-9-22-12(11)17/h4,9,18H,5-8,10H2,1-3H3,(H,19,20)
InChIKeyGTFPKIPIUULXND-UHFFFAOYSA-N
XLogP2.33
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
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 [4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate (CID 174970057) is [4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1(CNC(=O)c2ccoc2I)CCNCC1.
What is the InChIKey of [4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The InChIKey is GTFPKIPIUULXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2O4/c1-15(2,3)14(21)23-16(5-7-18-8-6-16)10-19-13(20)11-4-9-22-12(11)17/h4,9,18H,5-8,10H2,1-3H3,(H,19,20).
What are the key properties of [4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate?
[4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate has a molecular weight of 434.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-iodofuran-3-carbonyl)amino]methyl]piperidin-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174970057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).