(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

C11H14INO2 — CID 2129746

IUPAC(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(I)o1
InChIInChI=1S/C11H14INO2/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyPNEAZMLSEIJDTE-MRVPVSSYSA-N
MW319.14 g/mol
LogP2.90
Rot. Bonds1

About (5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 2129746) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is (5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID2129746
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(I)o1
InChIInChI=1S/C11H14INO2/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyPNEAZMLSEIJDTE-MRVPVSSYSA-N
XLogP2.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 755150
[5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 18106367
[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508
[5-(furan-2-yl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 71690133
[5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94076411
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 56725942
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 42889122
(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
CID 113236236

Frequently Asked Questions

What is the IUPAC name of (5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone (CID 2129746) is (5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone is C[C@@H]1CCCCN1C(=O)c1ccc(I)o1.
What is the InChIKey of (5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is PNEAZMLSEIJDTE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14INO2/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of (5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 319.14 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 2129746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).