3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one

C17H19ClN2OS — CID 10640504

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one
SMILESO=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1
InChIInChI=1S/C17H19ClN2OS/c18-15-1-3-16(4-2-15)20-10-8-19(9-11-20)7-5-17(21)14-6-12-22-13-14/h1-4,6,12-13H,5,7-11H2
InChIKeyRQNONIVDXRQTQB-UHFFFAOYSA-N
MW334.87 g/mol
LogP3.80
Rot. Bonds5

About 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one

3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one (PubChem CID 10640504) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one
PubChem CID10640504
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one
SMILESO=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1
InChIInChI=1S/C17H19ClN2OS/c18-15-1-3-16(4-2-15)20-10-8-19(9-11-20)7-5-17(21)14-6-12-22-13-14/h1-4,6,12-13H,5,7-11H2
InChIKeyRQNONIVDXRQTQB-UHFFFAOYSA-N
XLogP3.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one (CID 10640504) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one is O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one?
The InChIKey is RQNONIVDXRQTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-15-1-3-16(4-2-15)20-10-8-19(9-11-20)7-5-17(21)14-6-12-22-13-14/h1-4,6,12-13H,5,7-11H2.
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one?
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one has a molecular weight of 334.87 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 10640504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).