[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone

C24H24Cl2N2O3S — CID 19496991

About [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone

[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone (PubChem CID 19496991) has the molecular formula C24H24Cl2N2O3S and a molecular weight of 491.44 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone
• PubChem CID: 19496991
• Molecular Formula: C24H24Cl2N2O3S
• Molecular Weight: 491.44 g/mol
• Exact Mass: 490.09
• IUPAC Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone
• SMILES: COc1ccccc1OCc1csc(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1
• InChI: InChI=1S/C24H24Cl2N2O3S/c1-30-21-4-2-3-5-22(21)31-15-18-13-23(32-16-18)24(29)28-10-8-27(9-11-28)14-17-6-7-19(25)20(26)12-17/h2-7,12-13,16H,8-11,14-15H2,1H3
• InChIKey: JLNIRZUBWLUMSX-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 42.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.44
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone?

The IUPAC name of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone (CID 19496991) is [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone.

What is the SMILES notation for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone?

The canonical SMILES for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone is COc1ccccc1OCc1csc(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1.

What is the InChIKey of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone?

The InChIKey is JLNIRZUBWLUMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3S/c1-30-21-4-2-3-5-22(21)31-15-18-13-23(32-16-18)24(29)28-10-8-27(9-11-28)14-17-6-7-19(25)20(26)12-17/h2-7,12-13,16H,8-11,14-15H2,1H3.

What are the key properties of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone?

[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone has a molecular weight of 491.44 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone is sourced from PubChem (CID 19496991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).