2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

C33H39ClN4O3 — CID 5219081

About 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 5219081) has the molecular formula C33H39ClN4O3 and a molecular weight of 575.15 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

• Compound Name: 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
• PubChem CID: 5219081
• Molecular Formula: C33H39ClN4O3
• Molecular Weight: 575.15 g/mol
• Exact Mass: 574.27
• IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
• SMILES: O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCCN2CCOCC2)c1)c1ccccc1Cl
• InChI: InChI=1S/C33H39ClN4O3/c34-30-10-5-4-9-28(30)33(40)36-27-11-12-31(38-17-13-26(14-18-38)23-25-7-2-1-3-8-25)29(24-27)32(39)35-15-6-16-37-19-21-41-22-20-37/h1-5,7-12,24,26H,6,13-23H2,(H,35,39)(H,36,40)
• InChIKey: WLCXUCXNDYXCFI-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.15
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?

The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 5219081) is 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.

What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?

The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCCN2CCOCC2)c1)c1ccccc1Cl.

What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?

The InChIKey is WLCXUCXNDYXCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39ClN4O3/c34-30-10-5-4-9-28(30)33(40)36-27-11-12-31(38-17-13-26(14-18-38)23-25-7-2-1-3-8-25)29(24-27)32(39)35-15-6-16-37-19-21-41-22-20-37/h1-5,7-12,24,26H,6,13-23H2,(H,35,39)(H,36,40).

What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?

2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 575.15 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 5219081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).