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

C32H37ClN4O3 — CID 1063922

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

2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 1063922) has the molecular formula C32H37ClN4O3 and a molecular weight of 561.13 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 1063922
• Molecular Formula: C32H37ClN4O3
• Molecular Weight: 561.13 g/mol
• Exact Mass: 560.26
• IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCN2CCOCC2)c1)c1ccccc1Cl
• InChI: InChI=1S/C32H37ClN4O3/c33-29-9-5-4-8-27(29)32(39)35-26-10-11-30(28(23-26)31(38)34-14-17-36-18-20-40-21-19-36)37-15-12-25(13-16-37)22-24-6-2-1-3-7-24/h1-11,23,25H,12-22H2,(H,34,38)(H,35,39)
• InChIKey: QDFSRRIUBDZDPA-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.13
LogP ≤ 5	5.11
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'}

Frequently Asked Questions

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

The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 1063922) is 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.

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

The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide is O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCN2CCOCC2)c1)c1ccccc1Cl.

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

The InChIKey is QDFSRRIUBDZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN4O3/c33-29-9-5-4-8-27(29)32(39)35-26-10-11-30(28(23-26)31(38)34-14-17-36-18-20-40-21-19-36)37-15-12-25(13-16-37)22-24-6-2-1-3-7-24/h1-11,23,25H,12-22H2,(H,34,38)(H,35,39).

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

2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 561.13 g/mol, XLogP of 5.11, 9 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-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 1063922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).