2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide

C₁₈H₁₉N₃O₅ — CID 143269994

About 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide

2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide (PubChem CID 143269994) has the molecular formula C₁₈H₁₉N₃O₅ and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide
• PubChem CID: 143269994
• Molecular Formula: C₁₈H₁₉N₃O₅
• Molecular Weight: 357.37 g/mol
• Exact Mass: 357.13
• IUPAC Name: 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide
• SMILES: C[C@]1(CC2C(=O)c3cccc(NC(=O)CN)c3C2=O)CCC(=O)NC1=O
• InChI: InChI=1S/C18H19N3O5/c1-18(6-5-12(22)21-17(18)26)7-10-15(24)9-3-2-4-11(14(9)16(10)25)20-13(23)8-19/h2-4,10H,5-8,19H2,1H3,(H,20,23)(H,21,22,26)/t10?,18-/m1/s1
• InChIKey: JPZATLYKMDKAQW-RXUIWSPKSA-N
• XLogP: 0.41
• TPSA: 135.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.37
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide?

The IUPAC name of 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide (CID 143269994) is 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide.

What is the SMILES notation for 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide?

The canonical SMILES for 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide is C[C@]1(CC2C(=O)c3cccc(NC(=O)CN)c3C2=O)CCC(=O)NC1=O.

What is the InChIKey of 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide?

The InChIKey is JPZATLYKMDKAQW-RXUIWSPKSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-18(6-5-12(22)21-17(18)26)7-10-15(24)9-3-2-4-11(14(9)16(10)25)20-13(23)8-19/h2-4,10H,5-8,19H2,1H3,(H,20,23)(H,21,22,26)/t10?,18-/m1/s1.

What are the key properties of 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide?

2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide has a molecular weight of 357.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide is sourced from PubChem (CID 143269994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143269994 — identifiers, structure, computed properties (public domain)

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