[4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone

C17H20N2O2S — CID 896558

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O2S/c1-2-21-15-7-4-3-6-14(15)18-9-11-19(12-10-18)17(20)16-8-5-13-22-16/h3-8,13H,2,9-12H2,1H3
InChIKeyACSFMVNNZVYOIB-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.11
Rot. Bonds4

About [4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 896558) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID896558
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O2S/c1-2-21-15-7-4-3-6-14(15)18-9-11-19(12-10-18)17(20)16-8-5-13-22-16/h3-8,13H,2,9-12H2,1H3
InChIKeyACSFMVNNZVYOIB-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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
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
4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt
CID 51353989
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516
N-(2-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 670141
N-(2-Ethoxyphenyl)-4,5-dimethyl-3-thiophenecarboxamide
CID 1245175
N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 896558) is [4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone is CCOc1ccccc1N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ACSFMVNNZVYOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-21-15-7-4-3-6-14(15)18-9-11-19(12-10-18)17(20)16-8-5-13-22-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 316.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 896558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).