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

C18H22N2O2S — CID 86977989

IUPAC[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccccc1OCCN1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H22N2O2S/c1-15-5-2-3-6-16(15)22-13-12-19-8-10-20(11-9-19)18(21)17-7-4-14-23-17/h2-7,14H,8-13H2,1H3
InChIKeyWKTNCQGUZAOFTA-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.89
Rot. Bonds5

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

[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 86977989) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is [4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID86977989
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccccc1OCCN1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H22N2O2S/c1-15-5-2-3-6-16(15)22-13-12-19-8-10-20(11-9-19)18(21)17-7-4-14-23-17/h2-7,14H,8-13H2,1H3
InChIKeyWKTNCQGUZAOFTA-UHFFFAOYSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110638250
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate
CID 40692284
[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 90643655
[4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 78809997
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
[4-[2-(4-methanimidoylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 147765140
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110638269
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
(2-methylphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798106
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 86977989) is [4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1ccccc1OCCN1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WKTNCQGUZAOFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15-5-2-3-6-16(15)22-13-12-19-8-10-20(11-9-19)18(21)17-7-4-14-23-17/h2-7,14H,8-13H2,1H3.
What are the key properties of [4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 330.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 86977989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).