N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide

C24H33IN4O3 — CID 111346360

About N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide

N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111346360) has the molecular formula C24H33IN4O3 and a molecular weight of 552.46 g/mol. Its IUPAC name is N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 111346360
• Molecular Formula: C24H33IN4O3
• Molecular Weight: 552.46 g/mol
• Exact Mass: 552.16
• IUPAC Name: N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
• SMILES: I.O=C(C1CCN(/C(=N/Cc2ccccc2)NCCc2ccco2)CC1)N1CCOCC1
• InChI: InChI=1S/C24H32N4O3.HI/c29-23(27-14-17-30-18-15-27)21-9-12-28(13-10-21)24(25-11-8-22-7-4-16-31-22)26-19-20-5-2-1-3-6-20;/h1-7,16,21H,8-15,17-19H2,(H,25,26);1H
• InChIKey: HWHDZWCRVBREOA-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 70.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.46
LogP ≤ 5	3.16
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'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide (CID 111346360) is N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide.

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

The canonical SMILES for N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide is I.O=C(C1CCN(/C(=N/Cc2ccccc2)NCCc2ccco2)CC1)N1CCOCC1.

What is the InChIKey of N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is HWHDZWCRVBREOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3.HI/c29-23(27-14-17-30-18-15-27)21-9-12-28(13-10-21)24(25-11-8-22-7-4-16-31-22)26-19-20-5-2-1-3-6-20;/h1-7,16,21H,8-15,17-19H2,(H,25,26);1H.

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

N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 552.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111346360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).