1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone

C18H20N2O2S — CID 1246653

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3cccs3)CC2)cc1
InChIInChI=1S/C18H20N2O2S/c1-14(21)15-4-6-16(7-5-15)19-8-10-20(11-9-19)18(22)13-17-3-2-12-23-17/h2-7,12H,8-11,13H2,1H3
InChIKeyJRJXDYIUFGONRI-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.84
Rot. Bonds4

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 1246653) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID1246653
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3cccs3)CC2)cc1
InChIInChI=1S/C18H20N2O2S/c1-14(21)15-4-6-16(7-5-15)19-8-10-20(11-9-19)18(22)13-17-3-2-12-23-17/h2-7,12H,8-11,13H2,1H3
InChIKeyJRJXDYIUFGONRI-UHFFFAOYSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 1246653) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone is CC(=O)c1ccc(N2CCN(C(=O)Cc3cccs3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is JRJXDYIUFGONRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-14(21)15-4-6-16(7-5-15)19-8-10-20(11-9-19)18(22)13-17-3-2-12-23-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 328.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 1246653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).