N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide

C22H39IN4O4 — CID 110057809

About N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide

N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 110057809) has the molecular formula C22H39IN4O4 and a molecular weight of 550.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 110057809
• Molecular Formula: C22H39IN4O4
• Molecular Weight: 550.48 g/mol
• Exact Mass: 550.20
• IUPAC Name: N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide
• SMILES: COCCCOC1CCN(/C(=N/CCN2CCOCC2)NCCc2ccco2)CC1.I
• InChI: InChI=1S/C22H38N4O4.HI/c1-27-15-3-17-30-21-6-10-26(11-7-21)22(23-8-5-20-4-2-16-29-20)24-9-12-25-13-18-28-19-14-25;/h2,4,16,21H,3,5-15,17-19H2,1H3,(H,23,24);1H
• InChIKey: WJZMKOLMCPJFIX-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 71.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.48
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide (CID 110057809) is N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide is COCCCOC1CCN(/C(=N/CCN2CCOCC2)NCCc2ccco2)CC1.I.

What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is WJZMKOLMCPJFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O4.HI/c1-27-15-3-17-30-21-6-10-26(11-7-21)22(23-8-5-20-4-2-16-29-20)24-9-12-25-13-18-28-19-14-25;/h2,4,16,21H,3,5-15,17-19H2,1H3,(H,23,24);1H.

What are the key properties of N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide?

N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 550.48 g/mol, XLogP of 2.24, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110057809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).