6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide

C₂₅H₂₃N₃O₄ — CID 155527330

About 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide

6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide (PubChem CID 155527330) has the molecular formula C₂₅H₂₃N₃O₄ and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide
• PubChem CID: 155527330
• Molecular Formula: C₂₅H₂₃N₃O₄
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.17
• IUPAC Name: 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide
• SMILES: C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2cc(C(N)=O)ccc2c1
• InChI: InChI=1S/C25H23N3O4/c1-16-15-27(24(31)17-5-3-2-4-6-17)11-12-28(16)25(32)22(29)20-9-7-19-14-21(23(26)30)10-8-18(19)13-20/h2-10,13-14,16H,11-12,15H2,1H3,(H2,26,30)/t16-/m1/s1
• InChIKey: ZJSNJJUFZAKMJL-MRXNPFEDSA-N
• XLogP: 2.49
• TPSA: 100.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide?

The IUPAC name of 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide (CID 155527330) is 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide.

What is the SMILES notation for 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide?

The canonical SMILES for 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide is C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2cc(C(N)=O)ccc2c1.

What is the InChIKey of 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide?

The InChIKey is ZJSNJJUFZAKMJL-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-16-15-27(24(31)17-5-3-2-4-6-17)11-12-28(16)25(32)22(29)20-9-7-19-14-21(23(26)30)10-8-18(19)13-20/h2-10,13-14,16H,11-12,15H2,1H3,(H2,26,30)/t16-/m1/s1.

What are the key properties of 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide?

6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide is sourced from PubChem (CID 155527330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155527330 — identifiers, structure, computed properties (public domain)

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