4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide

C29H32N4O2 — CID 123598561

About 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide

4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 123598561) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

• Compound Name: 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
• PubChem CID: 123598561
• Molecular Formula: C29H32N4O2
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.25
• IUPAC Name: 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
• SMILES: CC1CC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC(C)N1Cc1ccccc1
• InChI: InChI=1S/C29H32N4O2/c1-20-16-25(17-21(2)33(20)19-22-6-4-3-5-7-22)26-12-14-30-28-27(26)13-15-32(28)18-23-8-10-24(11-9-23)29(34)31-35/h3-15,20-21,25,35H,16-19H2,1-2H3,(H,31,34)
• InChIKey: DXXDMVPILVQFKN-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
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 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide?

The IUPAC name of 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide (CID 123598561) is 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide.

What is the SMILES notation for 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide?

The canonical SMILES for 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide is CC1CC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC(C)N1Cc1ccccc1.

What is the InChIKey of 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide?

The InChIKey is DXXDMVPILVQFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-20-16-25(17-21(2)33(20)19-22-6-4-3-5-7-22)26-12-14-30-28-27(26)13-15-32(28)18-23-8-10-24(11-9-23)29(34)31-35/h3-15,20-21,25,35H,16-19H2,1-2H3,(H,31,34).

What are the key properties of 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide?

4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 468.60 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 123598561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).