1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one

C17H19ClN2OS — CID 120738169

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1c1ccccc1Cl)c1ccsc1
InChIInChI=1S/C17H19ClN2OS/c1-12(13-6-9-22-11-13)17(21)20-8-7-19-10-16(20)14-4-2-3-5-15(14)18/h2-6,9,11-12,16,19H,7-8,10H2,1H3
InChIKeyQERASGFAJIQSGG-UHFFFAOYSA-N
MW334.87 g/mol
LogP3.68
Rot. Bonds3

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one (PubChem CID 120738169) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one
PubChem CID120738169
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1c1ccccc1Cl)c1ccsc1
InChIInChI=1S/C17H19ClN2OS/c1-12(13-6-9-22-11-13)17(21)20-8-7-19-10-16(20)14-4-2-3-5-15(14)18/h2-6,9,11-12,16,19H,7-8,10H2,1H3
InChIKeyQERASGFAJIQSGG-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one (CID 120738169) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one is CC(C(=O)N1CCNCC1c1ccccc1Cl)c1ccsc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one?
The InChIKey is QERASGFAJIQSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-12(13-6-9-22-11-13)17(21)20-8-7-19-10-16(20)14-4-2-3-5-15(14)18/h2-6,9,11-12,16,19H,7-8,10H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one has a molecular weight of 334.87 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 120738169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).