N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide

C₁₃H₁₈N₄O₂ — CID 77030094

About N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide (PubChem CID 77030094) has the molecular formula C₁₃H₁₈N₄O₂ and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

• Compound Name: N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
• PubChem CID: 77030094
• Molecular Formula: C₁₃H₁₈N₄O₂
• Molecular Weight: 262.31 g/mol
• Exact Mass: 262.14
• IUPAC Name: N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
• SMILES: NC(=NO)c1cccc(CNC2CCCNC2=O)c1
• InChI: InChI=1S/C13H18N4O2/c14-12(17-19)10-4-1-3-9(7-10)8-16-11-5-2-6-15-13(11)18/h1,3-4,7,11,16,19H,2,5-6,8H2,(H2,14,17)(H,15,18)
• InChIKey: JXOZUENVGVHFPU-UHFFFAOYSA-N
• XLogP: 0.15
• TPSA: 99.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.31
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?

The IUPAC name of N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide (CID 77030094) is N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide.

What is the SMILES notation for N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?

The canonical SMILES for N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide is NC(=NO)c1cccc(CNC2CCCNC2=O)c1.

What is the InChIKey of N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?

The InChIKey is JXOZUENVGVHFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-12(17-19)10-4-1-3-9(7-10)8-16-11-5-2-6-15-13(11)18/h1,3-4,7,11,16,19H,2,5-6,8H2,(H2,14,17)(H,15,18).

What are the key properties of N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?

N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide has a molecular weight of 262.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77030094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 77030094 — identifiers, structure, computed properties (public domain)

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