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

C18H22N2OS — CID 2970684

IUPAC1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H22N2OS/c21-18(15-17-7-4-14-22-17)20-12-10-19(11-13-20)9-8-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2
InChIKeyCTKATFHRHXMKHG-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.68
Rot. Bonds5

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

1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 2970684) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID2970684
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H22N2OS/c21-18(15-17-7-4-14-22-17)20-12-10-19(11-13-20)9-8-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2
InChIKeyCTKATFHRHXMKHG-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 2970684) is 1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is CTKATFHRHXMKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-18(15-17-7-4-14-22-17)20-12-10-19(11-13-20)9-8-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2.
What are the key properties of 1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 314.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylethyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 2970684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).