N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

C22H36IN3O3 — CID 110057373

About N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 110057373) has the molecular formula C22H36IN3O3 and a molecular weight of 517.45 g/mol. Its IUPAC name is N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 110057373
• Molecular Formula: C22H36IN3O3
• Molecular Weight: 517.45 g/mol
• Exact Mass: 517.18
• IUPAC Name: N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• SMILES: I.c1coc(CC/N=C(/NC2CCCC2)N2CCC(OCC3CCCO3)CC2)c1
• InChI: InChI=1S/C22H35N3O3.HI/c1-2-6-18(5-1)24-22(23-12-9-19-7-3-15-26-19)25-13-10-20(11-14-25)28-17-21-8-4-16-27-21;/h3,7,15,18,20-21H,1-2,4-6,8-14,16-17H2,(H,23,24);1H
• InChIKey: JAKFHZAAJGLCLA-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 59.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.45
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 110057373) is N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is I.c1coc(CC/N=C(/NC2CCCC2)N2CCC(OCC3CCCO3)CC2)c1.

What is the InChIKey of N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is JAKFHZAAJGLCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3.HI/c1-2-6-18(5-1)24-22(23-12-9-19-7-3-15-26-19)25-13-10-20(11-14-25)28-17-21-8-4-16-27-21;/h3,7,15,18,20-21H,1-2,4-6,8-14,16-17H2,(H,23,24);1H.

What are the key properties of N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 517.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110057373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).