2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C18H23N3O2S — CID 647881

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NCc3cccs3)CC2)c1
InChIInChI=1S/C18H23N3O2S/c1-23-16-5-2-4-15(12-16)21-9-7-20(8-10-21)14-18(22)19-13-17-6-3-11-24-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,19,22)
InChIKeyJBBUTFIOWUCHJG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.20
Rot. Bonds6

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 647881) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID647881
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NCc3cccs3)CC2)c1
InChIInChI=1S/C18H23N3O2S/c1-23-16-5-2-4-15(12-16)21-9-7-20(8-10-21)14-18(22)19-13-17-6-3-11-24-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,19,22)
InChIKeyJBBUTFIOWUCHJG-UHFFFAOYSA-N
XLogP2.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 647881) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is COc1cccc(N2CCN(CC(=O)NCc3cccs3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JBBUTFIOWUCHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-23-16-5-2-4-15(12-16)21-9-7-20(8-10-21)14-18(22)19-13-17-6-3-11-24-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,19,22).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 647881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).