2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C32H37N3O4 — CID 3961147

About 2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3961147) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 3961147
• Molecular Formula: C32H37N3O4
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.28
• IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
• SMILES: COc1cccc(C(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)NCC3CCCO3)c2)c1
• InChI: InChI=1S/C32H37N3O4/c1-38-27-10-5-9-25(20-27)31(36)34-26-12-13-30(29(21-26)32(37)33-22-28-11-6-18-39-28)35-16-14-24(15-17-35)19-23-7-3-2-4-8-23/h2-5,7-10,12-13,20-21,24,28H,6,11,14-19,22H2,1H3,(H,33,37)(H,34,36)
• InChIKey: MHQYGTCKXZDOHK-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	5.32
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-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 3961147) is 2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is COc1cccc(C(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)NCC3CCCO3)c2)c1.

What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is MHQYGTCKXZDOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4/c1-38-27-10-5-9-25(20-27)31(36)34-26-12-13-30(29(21-26)32(37)33-22-28-11-6-18-39-28)35-16-14-24(15-17-35)19-23-7-3-2-4-8-23/h2-5,7-10,12-13,20-21,24,28H,6,11,14-19,22H2,1H3,(H,33,37)(H,34,36).

What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?

2-(4-benzylpiperidin-1-yl)-5-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 527.67 g/mol, XLogP of 5.32, 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-[(3-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3961147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).