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

C21H27N3O4 — CID 24791715

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

N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24791715) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide
• PubChem CID: 24791715
• Molecular Formula: C21H27N3O4
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.20
• IUPAC Name: N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide
• SMILES: COc1cccc(CCNC(=O)CC2C(=O)NCCN2Cc2ccc(C)o2)c1
• InChI: InChI=1S/C21H27N3O4/c1-15-6-7-18(28-15)14-24-11-10-23-21(26)19(24)13-20(25)22-9-8-16-4-3-5-17(12-16)27-2/h3-7,12,19H,8-11,13-14H2,1-2H3,(H,22,25)(H,23,26)
• InChIKey: RREMDFFQJTXIGH-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24791715) is N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide.

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

The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1cccc(CCNC(=O)CC2C(=O)NCCN2Cc2ccc(C)o2)c1.

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

The InChIKey is RREMDFFQJTXIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15-6-7-18(28-15)14-24-11-10-23-21(26)19(24)13-20(25)22-9-8-16-4-3-5-17(12-16)27-2/h3-7,12,19H,8-11,13-14H2,1-2H3,(H,22,25)(H,23,26).

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

N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24791715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).