2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C20H27N3O2S — CID 51126982

IUPAC2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(CCN2CCN(CC(=O)NCc3cccs3)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-25-18-6-4-17(5-7-18)8-9-22-10-12-23(13-11-22)16-20(24)21-15-19-3-2-14-26-19/h2-7,14H,8-13,15-16H2,1H3,(H,21,24)
InChIKeyRTBQXRSBGZYEQZ-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.23
Rot. Bonds8

About 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 51126982) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID51126982
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(CCN2CCN(CC(=O)NCc3cccs3)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-25-18-6-4-17(5-7-18)8-9-22-10-12-23(13-11-22)16-20(24)21-15-19-3-2-14-26-19/h2-7,14H,8-13,15-16H2,1H3,(H,21,24)
InChIKeyRTBQXRSBGZYEQZ-UHFFFAOYSA-N
XLogP2.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30733019
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30959496
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30746228
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 87013977
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 16671279
N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
CID 141035311
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549305
ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
CID 9431083

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 51126982) is 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(CCN2CCN(CC(=O)NCc3cccs3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RTBQXRSBGZYEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-25-18-6-4-17(5-7-18)8-9-22-10-12-23(13-11-22)16-20(24)21-15-19-3-2-14-26-19/h2-7,14H,8-13,15-16H2,1H3,(H,21,24).
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 373.52 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 51126982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).