4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide

C23H28N2O4 — CID 143746715

About 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide

4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide (PubChem CID 143746715) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide.

Molecular Properties

• Compound Name: 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide
• PubChem CID: 143746715
• Molecular Formula: C23H28N2O4
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.20
• IUPAC Name: 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide
• SMILES: CNC(=O)c1ccc(O)cc1OCCCN1CCC2(CC1)Cc1ccccc1O2
• InChI: InChI=1S/C23H28N2O4/c1-24-22(27)19-8-7-18(26)15-21(19)28-14-4-11-25-12-9-23(10-13-25)16-17-5-2-3-6-20(17)29-23/h2-3,5-8,15,26H,4,9-14,16H2,1H3,(H,24,27)
• InChIKey: RNGJMCZCXIBNGI-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 71.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide?

The IUPAC name of 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide (CID 143746715) is 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide.

What is the SMILES notation for 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide?

The canonical SMILES for 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide is CNC(=O)c1ccc(O)cc1OCCCN1CCC2(CC1)Cc1ccccc1O2.

What is the InChIKey of 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide?

The InChIKey is RNGJMCZCXIBNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-24-22(27)19-8-7-18(26)15-21(19)28-14-4-11-25-12-9-23(10-13-25)16-17-5-2-3-6-20(17)29-23/h2-3,5-8,15,26H,4,9-14,16H2,1H3,(H,24,27).

What are the key properties of 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide?

4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide has a molecular weight of 396.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-methyl-2-(3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy)benzamide is sourced from PubChem (CID 143746715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).