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

C20H36IN5O3 — CID 109449202

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

N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 109449202) has the molecular formula C20H36IN5O3 and a molecular weight of 521.44 g/mol. Its IUPAC name is N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109449202
• Molecular Formula: C20H36IN5O3
• Molecular Weight: 521.44 g/mol
• Exact Mass: 521.19
• IUPAC Name: N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCCc1nc(C(C)C)no1)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C20H35N5O3.HI/c1-15(2)19-23-18(28-24-19)7-10-22-20(21-3)25-11-8-16(9-12-25)27-14-17-6-4-5-13-26-17;/h15-17H,4-14H2,1-3H3,(H,21,22);1H
• InChIKey: PFZXNVQOQMVNCW-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 85.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.44
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 109449202) is N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

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

The canonical SMILES for N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1nc(C(C)C)no1)N1CCC(OCC2CCCCO2)CC1.I.

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

The InChIKey is PFZXNVQOQMVNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3.HI/c1-15(2)19-23-18(28-24-19)7-10-22-20(21-3)25-11-8-16(9-12-25)27-14-17-6-4-5-13-26-17;/h15-17H,4-14H2,1-3H3,(H,21,22);1H.

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

N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 521.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109449202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).