4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide

C23H34IN5O4 — CID 111167780

About 4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide

4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111167780) has the molecular formula C23H34IN5O4 and a molecular weight of 571.46 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: 4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111167780
• Molecular Formula: C23H34IN5O4
• Molecular Weight: 571.46 g/mol
• Exact Mass: 571.17
• IUPAC Name: 4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
• SMILES: I.O=C(c1ccco1)N1CCN(/C(=N/CCCN2CCOCC2)NCCc2ccco2)CC1
• InChI: InChI=1S/C23H33N5O4.HI/c29-22(21-5-2-17-32-21)27-10-12-28(13-11-27)23(25-8-6-20-4-1-16-31-20)24-7-3-9-26-14-18-30-19-15-26;/h1-2,4-5,16-17H,3,6-15,18-19H2,(H,24,25);1H
• InChIKey: WZWABAUBNAKZME-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 86.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.46
LogP ≤ 5	2.16
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 4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of 4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide (CID 111167780) is 4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide.

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

The canonical SMILES for 4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide is I.O=C(c1ccco1)N1CCN(/C(=N/CCCN2CCOCC2)NCCc2ccco2)CC1.

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

The InChIKey is WZWABAUBNAKZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4.HI/c29-22(21-5-2-17-32-21)27-10-12-28(13-11-27)23(25-8-6-20-4-1-16-31-20)24-7-3-9-26-14-18-30-19-15-26;/h1-2,4-5,16-17H,3,6-15,18-19H2,(H,24,25);1H.

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

4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 571.46 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111167780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).