N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

C32H41N3O — CID 20908865

About N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (PubChem CID 20908865) has the molecular formula C32H41N3O and a molecular weight of 483.70 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
• PubChem CID: 20908865
• Molecular Formula: C32H41N3O
• Molecular Weight: 483.70 g/mol
• Exact Mass: 483.32
• IUPAC Name: N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
• SMILES: Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCC(Cc4ccccc4)CC3)cc1)CCC(C)C2
• InChI: InChI=1S/C32H41N3O/c1-24-9-14-31-29(21-24)22-25(2)35(31)30-12-10-28(11-13-30)32(36)33-17-6-18-34-19-15-27(16-20-34)23-26-7-4-3-5-8-26/h3-5,7-8,10-13,22,24,27H,6,9,14-21,23H2,1-2H3,(H,33,36)
• InChIKey: FUDVIELYVLEWEL-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.70
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?

The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (CID 20908865) is N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.

What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?

The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCC(Cc4ccccc4)CC3)cc1)CCC(C)C2.

What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?

The InChIKey is FUDVIELYVLEWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O/c1-24-9-14-31-29(21-24)22-25(2)35(31)30-12-10-28(11-13-30)32(36)33-17-6-18-34-19-15-27(16-20-34)23-26-7-4-3-5-8-26/h3-5,7-8,10-13,22,24,27H,6,9,14-21,23H2,1-2H3,(H,33,36).

What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?

N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide has a molecular weight of 483.70 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is sourced from PubChem (CID 20908865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).