1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide

C22H35IN6O3 — CID 111830183

About 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide (PubChem CID 111830183) has the molecular formula C22H35IN6O3 and a molecular weight of 558.47 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
• PubChem CID: 111830183
• Molecular Formula: C22H35IN6O3
• Molecular Weight: 558.47 g/mol
• Exact Mass: 558.18
• IUPAC Name: 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CC(c1ccc(OC)cc1)N1CCCCC1)NCCN1C(=O)CNC1=O.I
• InChI: InChI=1S/C22H34N6O3.HI/c1-3-23-21(24-11-14-28-20(29)16-26-22(28)30)25-15-19(27-12-5-4-6-13-27)17-7-9-18(31-2)10-8-17;/h7-10,19H,3-6,11-16H2,1-2H3,(H,26,30)(H2,23,24,25);1H
• InChIKey: YMSWEDORQMULCF-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 98.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.47
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', '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 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide?

The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide (CID 111830183) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide.

What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide?

The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide is CCN/C(=N\CC(c1ccc(OC)cc1)N1CCCCC1)NCCN1C(=O)CNC1=O.I.

What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide?

The InChIKey is YMSWEDORQMULCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O3.HI/c1-3-23-21(24-11-14-28-20(29)16-26-22(28)30)25-15-19(27-12-5-4-6-13-27)17-7-9-18(31-2)10-8-17;/h7-10,19H,3-6,11-16H2,1-2H3,(H,26,30)(H2,23,24,25);1H.

What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide?

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide has a molecular weight of 558.47 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide is sourced from PubChem (CID 111830183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).