N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C24H35IN4O3 — CID 109448524

About N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 109448524) has the molecular formula C24H35IN4O3 and a molecular weight of 554.47 g/mol. Its IUPAC name is N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109448524
• Molecular Formula: C24H35IN4O3
• Molecular Weight: 554.47 g/mol
• Exact Mass: 554.18
• IUPAC Name: N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\Cc1coc(-c2ccccc2)n1)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C24H34N4O3.HI/c1-2-25-24(26-16-20-17-31-23(27-20)19-8-4-3-5-9-19)28-13-11-21(12-14-28)30-18-22-10-6-7-15-29-22;/h3-5,8-9,17,21-22H,2,6-7,10-16,18H2,1H3,(H,25,26);1H
• InChIKey: LJLUEWPUHNOEAE-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 72.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.47
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 109448524) is N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1coc(-c2ccccc2)n1)N1CCC(OCC2CCCCO2)CC1.I.

What is the InChIKey of N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?

The InChIKey is LJLUEWPUHNOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3.HI/c1-2-25-24(26-16-20-17-31-23(27-20)19-8-4-3-5-9-19)28-13-11-21(12-14-28)30-18-22-10-6-7-15-29-22;/h3-5,8-9,17,21-22H,2,6-7,10-16,18H2,1H3,(H,25,26);1H.

What are the key properties of N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?

N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 554.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109448524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).