N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

C22H39IN4O3 — CID 109449400

About N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109449400) has the molecular formula C22H39IN4O3 and a molecular weight of 534.48 g/mol. Its IUPAC name is N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109449400
• Molecular Formula: C22H39IN4O3
• Molecular Weight: 534.48 g/mol
• Exact Mass: 534.21
• IUPAC Name: N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CCCc1c(C)noc1C)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C22H38N4O3.HI/c1-4-23-22(24-12-7-9-21-17(2)25-29-18(21)3)26-13-10-19(11-14-26)28-16-20-8-5-6-15-27-20;/h19-20H,4-16H2,1-3H3,(H,23,24);1H
• InChIKey: OGNQEHAPHCLZME-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 72.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.48
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 109449400) is N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCc1c(C)noc1C)N1CCC(OCC2CCCCO2)CC1.I.

What is the InChIKey of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is OGNQEHAPHCLZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O3.HI/c1-4-23-22(24-12-7-9-21-17(2)25-29-18(21)3)26-13-10-19(11-14-26)28-16-20-8-5-6-15-27-20;/h19-20H,4-16H2,1-3H3,(H,23,24);1H.

What are the key properties of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 534.48 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109449400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).