2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide

C34H43N5O3 — CID 1064282

About 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide

2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 1064282) has the molecular formula C34H43N5O3 and a molecular weight of 569.75 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 1064282
• Molecular Formula: C34H43N5O3
• Molecular Weight: 569.75 g/mol
• Exact Mass: 569.34
• IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: CCc1cccc(NC(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)NCCN3CCOCC3)c2)c1
• InChI: InChI=1S/C34H43N5O3/c1-2-26-9-6-10-29(24-26)36-34(41)37-30-11-12-32(31(25-30)33(40)35-15-18-38-19-21-42-22-20-38)39-16-13-28(14-17-39)23-27-7-4-3-5-8-27/h3-12,24-25,28H,2,13-23H2,1H3,(H,35,40)(H2,36,37,41)
• InChIKey: BTAXRKVSNUMCPB-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 85.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.75
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
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-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide (CID 1064282) is 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide.

What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?

The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide is CCc1cccc(NC(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)NCCN3CCOCC3)c2)c1.

What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is BTAXRKVSNUMCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O3/c1-2-26-9-6-10-29(24-26)36-34(41)37-30-11-12-32(31(25-30)33(40)35-15-18-38-19-21-42-22-20-38)39-16-13-28(14-17-39)23-27-7-4-3-5-8-27/h3-12,24-25,28H,2,13-23H2,1H3,(H,35,40)(H2,36,37,41).

What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?

2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 569.75 g/mol, XLogP of 5.41, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 1064282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).