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

C17H20N2O2S — CID 670139

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C17H20N2O2S/c1-21-16-7-3-2-6-15(16)18-8-10-19(11-9-18)17(20)13-14-5-4-12-22-14/h2-7,12H,8-11,13H2,1H3
InChIKeyQGUTXAVIIDUSHD-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.65
Rot. Bonds4

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

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 670139) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID670139
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C17H20N2O2S/c1-21-16-7-3-2-6-15(16)18-8-10-19(11-9-18)17(20)13-14-5-4-12-22-14/h2-7,12H,8-11,13H2,1H3
InChIKeyQGUTXAVIIDUSHD-UHFFFAOYSA-N
XLogP2.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one; hydrochloride
CID 10836245
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
CID 18738385
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 2093114
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-thiophen-2-ylprop-2-enamide;oxalic acid
CID 44350653
Azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
CID 45262082
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516
N-(2-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 670141
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
2-[(3-Methoxyphenyl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810018

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 670139) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone is COc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is QGUTXAVIIDUSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-21-16-7-3-2-6-15(16)18-8-10-19(11-9-18)17(20)13-14-5-4-12-22-14/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 316.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 670139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).