1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide

C28H28N4O5 — CID 87915983

About 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide

1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide (PubChem CID 87915983) has the molecular formula C28H28N4O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
• PubChem CID: 87915983
• Molecular Formula: C28H28N4O5
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.21
• IUPAC Name: 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2cc(C(=O)N3CCCC(C(N)=O)C3)cc(-c3ccc(C(=O)NO)cc3)c2)cc1
• InChI: InChI=1S/C28H28N4O5/c1-17-4-6-19(7-5-17)26(34)30-24-14-22(18-8-10-20(11-9-18)27(35)31-37)13-23(15-24)28(36)32-12-2-3-21(16-32)25(29)33/h4-11,13-15,21,37H,2-3,12,16H2,1H3,(H2,29,33)(H,30,34)(H,31,35)
• InChIKey: WTBXYBIQLMJTOG-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 141.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide?

The IUPAC name of 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide (CID 87915983) is 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(C(=O)N3CCCC(C(N)=O)C3)cc(-c3ccc(C(=O)NO)cc3)c2)cc1.

What is the InChIKey of 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide?

The InChIKey is WTBXYBIQLMJTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5/c1-17-4-6-19(7-5-17)26(34)30-24-14-22(18-8-10-20(11-9-18)27(35)31-37)13-23(15-24)28(36)32-12-2-3-21(16-32)25(29)33/h4-11,13-15,21,37H,2-3,12,16H2,1H3,(H2,29,33)(H,30,34)(H,31,35).

What are the key properties of 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide?

1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 3.37, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 87915983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).