4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide

C32H38ClN3O3 — CID 10280738

About 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide

4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide (PubChem CID 10280738) has the molecular formula C32H38ClN3O3 and a molecular weight of 548.13 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide.

Molecular Properties

• Compound Name: 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide
• PubChem CID: 10280738
• Molecular Formula: C32H38ClN3O3
• Molecular Weight: 548.13 g/mol
• Exact Mass: 547.26
• IUPAC Name: 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide
• SMILES: CCc1ccc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1
• InChI: InChI=1S/C32H38ClN3O3/c1-3-23-6-15-29(30(22-23)39-2)24-16-20-36(21-17-24)19-5-4-18-34-31(37)25-9-13-28(14-10-25)35-32(38)26-7-11-27(33)12-8-26/h6-15,22,24H,3-5,16-21H2,1-2H3,(H,34,37)(H,35,38)
• InChIKey: JLKDGUXIDUMOOE-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.13
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide?

The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide (CID 10280738) is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide.

What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide?

The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide is CCc1ccc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1.

What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide?

The InChIKey is JLKDGUXIDUMOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O3/c1-3-23-6-15-29(30(22-23)39-2)24-16-20-36(21-17-24)19-5-4-18-34-31(37)25-9-13-28(14-10-25)35-32(38)26-7-11-27(33)12-8-26/h6-15,22,24H,3-5,16-21H2,1-2H3,(H,34,37)(H,35,38).

What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide?

4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide has a molecular weight of 548.13 g/mol, XLogP of 6.55, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(4-ethyl-2-methoxyphenyl)piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 10280738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).