N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide

C21H31IN4O3 — CID 111541433

About N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide

N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111541433) has the molecular formula C21H31IN4O3 and a molecular weight of 514.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111541433
• Molecular Formula: C21H31IN4O3
• Molecular Weight: 514.41 g/mol
• Exact Mass: 514.14
• IUPAC Name: N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
• SMILES: COCC/N=C(\NCCc1ccco1)N1CCN(c2ccc(OC)cc2)CC1.I
• InChI: InChI=1S/C21H30N4O3.HI/c1-26-17-11-23-21(22-10-9-20-4-3-16-28-20)25-14-12-24(13-15-25)18-5-7-19(27-2)8-6-18;/h3-8,16H,9-15,17H2,1-2H3,(H,22,23);1H
• InChIKey: FVANUXJTPNTNJN-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 62.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.41
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide (CID 111541433) is N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide.

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

The canonical SMILES for N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide is COCC/N=C(\NCCc1ccco1)N1CCN(c2ccc(OC)cc2)CC1.I.

What is the InChIKey of N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide?

The InChIKey is FVANUXJTPNTNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3.HI/c1-26-17-11-23-21(22-10-9-20-4-3-16-28-20)25-14-12-24(13-15-25)18-5-7-19(27-2)8-6-18;/h3-8,16H,9-15,17H2,1-2H3,(H,22,23);1H.

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

N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 514.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111541433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).