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

C20H35IN4O3 — CID 109448750

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

N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 109448750) has the molecular formula C20H35IN4O3 and a molecular weight of 506.43 g/mol. Its IUPAC name is N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109448750
• Molecular Formula: C20H35IN4O3
• Molecular Weight: 506.43 g/mol
• Exact Mass: 506.18
• IUPAC Name: N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCc1cc(C(C)C)no1)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C20H34N4O3.HI/c1-15(2)19-12-18(27-23-19)13-22-20(21-3)24-9-7-16(8-10-24)26-14-17-6-4-5-11-25-17;/h12,15-17H,4-11,13-14H2,1-3H3,(H,21,22);1H
• InChIKey: JUIZHQSFQPHROF-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 72.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.43
LogP ≤ 5	3.54
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'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 109448750) is N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

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

The canonical SMILES for N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1cc(C(C)C)no1)N1CCC(OCC2CCCCO2)CC1.I.

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

The InChIKey is JUIZHQSFQPHROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3.HI/c1-15(2)19-12-18(27-23-19)13-22-20(21-3)24-9-7-16(8-10-24)26-14-17-6-4-5-11-25-17;/h12,15-17H,4-11,13-14H2,1-3H3,(H,21,22);1H.

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

N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 506.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109448750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).