(2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone

C12H16INO2 — CID 3853107

IUPAC(2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(I)o1
InChIInChI=1S/C12H16INO2/c1-2-9-5-3-4-8-14(9)12(15)10-6-7-11(13)16-10/h6-7,9H,2-5,8H2,1H3
InChIKeyYBDYUISYRKYTDE-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.29
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone

(2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone (PubChem CID 3853107) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone
PubChem CID3853107
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC Name(2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(I)o1
InChIInChI=1S/C12H16INO2/c1-2-9-5-3-4-8-14(9)12(15)10-6-7-11(13)16-10/h6-7,9H,2-5,8H2,1H3
InChIKeyYBDYUISYRKYTDE-UHFFFAOYSA-N
XLogP3.29
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone (CID 3853107) is (2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone is CCC1CCCCN1C(=O)c1ccc(I)o1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone?
The InChIKey is YBDYUISYRKYTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-2-9-5-3-4-8-14(9)12(15)10-6-7-11(13)16-10/h6-7,9H,2-5,8H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone?
(2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone has a molecular weight of 333.17 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(5-iodofuran-2-yl)methanone is sourced from PubChem (CID 3853107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).