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

C23H39IN4O4 — CID 110057355

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

N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 110057355) has the molecular formula C23H39IN4O4 and a molecular weight of 562.49 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 110057355
• Molecular Formula: C23H39IN4O4
• Molecular Weight: 562.49 g/mol
• Exact Mass: 562.20
• IUPAC Name: N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• SMILES: I.c1coc(CCN/C(=N\CCN2CCOCC2)N2CCC(OCC3CCCO3)CC2)c1
• InChI: InChI=1S/C23H38N4O4.HI/c1-3-20(29-15-1)5-8-24-23(25-9-12-26-13-17-28-18-14-26)27-10-6-21(7-11-27)31-19-22-4-2-16-30-22;/h1,3,15,21-22H,2,4-14,16-19H2,(H,24,25);1H
• InChIKey: GNGVXUQEFHAMFJ-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 71.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.49
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 110057355) is N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

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

The canonical SMILES for N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is I.c1coc(CCN/C(=N\CCN2CCOCC2)N2CCC(OCC3CCCO3)CC2)c1.

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

The InChIKey is GNGVXUQEFHAMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O4.HI/c1-3-20(29-15-1)5-8-24-23(25-9-12-26-13-17-28-18-14-26)27-10-6-21(7-11-27)31-19-22-4-2-16-30-22;/h1,3,15,21-22H,2,4-14,16-19H2,(H,24,25);1H.

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

N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 562.49 g/mol, XLogP of 2.38, 9 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]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110057355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).