N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide

C₁₈H₂₅IN₄O₂ — CID 111810695

About N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide

N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111810695) has the molecular formula C₁₈H₂₅IN₄O₂ and a molecular weight of 456.33 g/mol. Its IUPAC name is N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 111810695
• Molecular Formula: C₁₈H₂₅IN₄O₂
• Molecular Weight: 456.33 g/mol
• Exact Mass: 456.10
• IUPAC Name: N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
• SMILES: I.N/C(=N\CCCCN1C(=O)c2ccccc2C1=O)N1CCCCC1
• InChI: InChI=1S/C18H24N4O2.HI/c19-18(21-11-5-1-6-12-21)20-10-4-7-13-22-16(23)14-8-2-3-9-15(14)17(22)24;/h2-3,8-9H,1,4-7,10-13H2,(H2,19,20);1H
• InChIKey: IYAISEAPHDBURC-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 79.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.33
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide (CID 111810695) is N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCCCN1C(=O)c2ccccc2C1=O)N1CCCCC1.

What is the InChIKey of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?

The InChIKey is IYAISEAPHDBURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.HI/c19-18(21-11-5-1-6-12-21)20-10-4-7-13-22-16(23)14-8-2-3-9-15(14)17(22)24;/h2-3,8-9H,1,4-7,10-13H2,(H2,19,20);1H.

What are the key properties of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?

N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 456.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111810695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111810695 — identifiers, structure, computed properties (public domain)

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