[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

C34H37N3O3 — CID 3898909

About [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 3898909) has the molecular formula C34H37N3O3 and a molecular weight of 535.69 g/mol. Its IUPAC name is [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
• PubChem CID: 3898909
• Molecular Formula: C34H37N3O3
• Molecular Weight: 535.69 g/mol
• Exact Mass: 535.28
• IUPAC Name: [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
• SMILES: COc1cccc(CN(Cc2ccccc2)Cc2ccc(C(=O)N3CCN(CC=Cc4ccccc4)CC3)o2)c1
• InChI: InChI=1S/C34H37N3O3/c1-39-31-16-8-14-30(24-31)26-36(25-29-12-6-3-7-13-29)27-32-17-18-33(40-32)34(38)37-22-20-35(21-23-37)19-9-15-28-10-4-2-5-11-28/h2-18,24H,19-23,25-27H2,1H3
• InChIKey: UCDSXFBIZWROIG-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 49.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.69
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?

The IUPAC name of [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 3898909) is [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

What is the SMILES notation for [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?

The canonical SMILES for [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is COc1cccc(CN(Cc2ccccc2)Cc2ccc(C(=O)N3CCN(CC=Cc4ccccc4)CC3)o2)c1.

What is the InChIKey of [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?

The InChIKey is UCDSXFBIZWROIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O3/c1-39-31-16-8-14-30(24-31)26-36(25-29-12-6-3-7-13-29)27-32-17-18-33(40-32)34(38)37-22-20-35(21-23-37)19-9-15-28-10-4-2-5-11-28/h2-18,24H,19-23,25-27H2,1H3.

What are the key properties of [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?

[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 535.69 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3898909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).