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

C19H24N2O2S — CID 110638250

IUPAC1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccccc1OCCN1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H24N2O2S/c1-16-5-2-3-7-18(16)23-13-12-20-8-10-21(11-9-20)19(22)15-17-6-4-14-24-17/h2-7,14H,8-13,15H2,1H3
InChIKeyRSIREIQVHUCKLD-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.82
Rot. Bonds6

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

1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110638250) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110638250
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccccc1OCCN1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H24N2O2S/c1-16-5-2-3-7-18(16)23-13-12-20-8-10-21(11-9-20)19(22)15-17-6-4-14-24-17/h2-7,14H,8-13,15H2,1H3
InChIKeyRSIREIQVHUCKLD-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110366127
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 86977989
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110638111
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108546404
1-[4-[2-(2-ethylphenoxy)acetyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108547283
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110638269
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 113074569
1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 113077635

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone (CID 110638250) is 1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone is Cc1ccccc1OCCN1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is RSIREIQVHUCKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-16-5-2-3-7-18(16)23-13-12-20-8-10-21(11-9-20)19(22)15-17-6-4-14-24-17/h2-7,14H,8-13,15H2,1H3.
What are the key properties of 1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 344.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110638250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).