N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide

C23H26N4O5 — CID 43012142

About N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide

N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 43012142) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide
• PubChem CID: 43012142
• Molecular Formula: C23H26N4O5
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.19
• IUPAC Name: N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide
• SMILES: CC(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C3COc4ccccc4O3)CC2)c1
• InChI: InChI=1S/C23H26N4O5/c1-16(28)24-17-5-4-6-18(13-17)25-22(29)14-26-9-11-27(12-10-26)23(30)21-15-31-19-7-2-3-8-20(19)32-21/h2-8,13,21H,9-12,14-15H2,1H3,(H,24,28)(H,25,29)
• InChIKey: XXLUECPYWRUJMM-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide?

The IUPAC name of N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide (CID 43012142) is N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide?

The canonical SMILES for N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide is CC(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C3COc4ccccc4O3)CC2)c1.

What is the InChIKey of N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide?

The InChIKey is XXLUECPYWRUJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-16(28)24-17-5-4-6-18(13-17)25-22(29)14-26-9-11-27(12-10-26)23(30)21-15-31-19-7-2-3-8-20(19)32-21/h2-8,13,21H,9-12,14-15H2,1H3,(H,24,28)(H,25,29).

What are the key properties of N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide?

N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 438.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 43012142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).