N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide

C24H30N8O4 — CID 17039250

About N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide

N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide (PubChem CID 17039250) has the molecular formula C24H30N8O4 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
• PubChem CID: 17039250
• Molecular Formula: C24H30N8O4
• Molecular Weight: 494.56 g/mol
• Exact Mass: 494.24
• IUPAC Name: N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
• SMILES: CC(=O)Nc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ncccn3)CC2)cc1
• InChI: InChI=1S/C24H30N8O4/c1-17(33)28-18-3-5-19(6-4-18)29-21(34)15-20-23(36)25-9-10-32(20)22(35)16-30-11-13-31(14-12-30)24-26-7-2-8-27-24/h2-8,20H,9-16H2,1H3,(H,25,36)(H,28,33)(H,29,34)
• InChIKey: DAHCRDCTZGPNLA-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 139.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.56
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?

The IUPAC name of N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide (CID 17039250) is N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide.

What is the SMILES notation for N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?

The canonical SMILES for N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide is CC(=O)Nc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ncccn3)CC2)cc1.

What is the InChIKey of N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?

The InChIKey is DAHCRDCTZGPNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O4/c1-17(33)28-18-3-5-19(6-4-18)29-21(34)15-20-23(36)25-9-10-32(20)22(35)16-30-11-13-31(14-12-30)24-26-7-2-8-27-24/h2-8,20H,9-16H2,1H3,(H,25,36)(H,28,33)(H,29,34).

What are the key properties of N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?

N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide has a molecular weight of 494.56 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 17039250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).