3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide

C₁₃H₁₆N₄O₃ — CID 77109740

About 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide

3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77109740) has the molecular formula C₁₃H₁₆N₄O₃ and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

• Compound Name: 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
• PubChem CID: 77109740
• Molecular Formula: C₁₃H₁₆N₄O₃
• Molecular Weight: 276.30 g/mol
• Exact Mass: 276.12
• IUPAC Name: 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
• SMILES: NC(=NO)c1cccc(CNC2CCC(=O)NC2=O)c1
• InChI: InChI=1S/C13H16N4O3/c14-12(17-20)9-3-1-2-8(6-9)7-15-10-4-5-11(18)16-13(10)19/h1-3,6,10,15,20H,4-5,7H2,(H2,14,17)(H,16,18,19)
• InChIKey: DTDNBDOCCMBILF-UHFFFAOYSA-N
• XLogP: -0.32
• TPSA: 116.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.30
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	4
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?

The IUPAC name of 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 77109740) is 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

What is the SMILES notation for 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?

The canonical SMILES for 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cccc(CNC2CCC(=O)NC2=O)c1.

What is the InChIKey of 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?

The InChIKey is DTDNBDOCCMBILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c14-12(17-20)9-3-1-2-8(6-9)7-15-10-4-5-11(18)16-13(10)19/h1-3,6,10,15,20H,4-5,7H2,(H2,14,17)(H,16,18,19).

What are the key properties of 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?

3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 276.30 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77109740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 77109740 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.