2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide

C20H25N3O4 — CID 45196329

About 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 45196329) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
• PubChem CID: 45196329
• Molecular Formula: C20H25N3O4
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.18
• IUPAC Name: 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
• SMILES: COc1cccc(CN2CCNC(=O)C2CC(=O)NCc2ccc(C)o2)c1
• InChI: InChI=1S/C20H25N3O4/c1-14-6-7-17(27-14)12-22-19(24)11-18-20(25)21-8-9-23(18)13-15-4-3-5-16(10-15)26-2/h3-7,10,18H,8-9,11-13H2,1-2H3,(H,21,25)(H,22,24)
• InChIKey: SATYBCHMMZTSGW-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?

The IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 45196329) is 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?

The canonical SMILES for 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is COc1cccc(CN2CCNC(=O)C2CC(=O)NCc2ccc(C)o2)c1.

What is the InChIKey of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?

The InChIKey is SATYBCHMMZTSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14-6-7-17(27-14)12-22-19(24)11-18-20(25)21-8-9-23(18)13-15-4-3-5-16(10-15)26-2/h3-7,10,18H,8-9,11-13H2,1-2H3,(H,21,25)(H,22,24).

What are the key properties of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?

2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 45196329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).