N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide

C23H25N3O6 — CID 35229072

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 35229072) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
• PubChem CID: 35229072
• Molecular Formula: C23H25N3O6
• Molecular Weight: 439.47 g/mol
• Exact Mass: 439.17
• IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
• SMILES: COc1cccc(C(=O)N2CCN(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)CC2)c1
• InChI: InChI=1S/C23H25N3O6/c1-15(27)18-11-20-21(32-14-31-20)12-19(18)24-22(28)13-25-6-8-26(9-7-25)23(29)16-4-3-5-17(10-16)30-2/h3-5,10-12H,6-9,13-14H2,1-2H3,(H,24,28)
• InChIKey: FQFYARAQEUYFJC-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?

The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide (CID 35229072) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?

The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide is COc1cccc(C(=O)N2CCN(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)CC2)c1.

What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?

The InChIKey is FQFYARAQEUYFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-15(27)18-11-20-21(32-14-31-20)12-19(18)24-22(28)13-25-6-8-26(9-7-25)23(29)16-4-3-5-17(10-16)30-2/h3-5,10-12H,6-9,13-14H2,1-2H3,(H,24,28).

What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 439.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35229072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).