2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide

C22H28N4O4 — CID 27369068

About 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide

2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide (PubChem CID 27369068) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
• PubChem CID: 27369068
• Molecular Formula: C22H28N4O4
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.21
• IUPAC Name: 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
• SMILES: COc1cn(CC(=O)Nc2cccc(C)c2)c(CN2CCN(C(C)=O)CC2)cc1=O
• InChI: InChI=1S/C22H28N4O4/c1-16-5-4-6-18(11-16)23-22(29)15-26-14-21(30-3)20(28)12-19(26)13-24-7-9-25(10-8-24)17(2)27/h4-6,11-12,14H,7-10,13,15H2,1-3H3,(H,23,29)
• InChIKey: OSHVVEBVGMMXFL-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 83.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?

The IUPAC name of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide (CID 27369068) is 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide.

What is the SMILES notation for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?

The canonical SMILES for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide is COc1cn(CC(=O)Nc2cccc(C)c2)c(CN2CCN(C(C)=O)CC2)cc1=O.

What is the InChIKey of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?

The InChIKey is OSHVVEBVGMMXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-16-5-4-6-18(11-16)23-22(29)15-26-14-21(30-3)20(28)12-19(26)13-24-7-9-25(10-8-24)17(2)27/h4-6,11-12,14H,7-10,13,15H2,1-3H3,(H,23,29).

What are the key properties of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?

2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 27369068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).