[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C20H28N4OS — CID 90533837

IUPAC[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCc1nccn1CCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C20H28N4OS/c1-17-21-8-9-23(17)13-10-22-11-14-24(15-12-22)19(25)20(6-2-3-7-20)18-5-4-16-26-18/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3
InChIKeyJMRZIDGOOGIONQ-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.91
Rot. Bonds5

About [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 90533837) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID90533837
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCc1nccn1CCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C20H28N4OS/c1-17-21-8-9-23(17)13-10-22-11-14-24(15-12-22)19(25)20(6-2-3-7-20)18-5-4-16-26-18/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3
InChIKeyJMRZIDGOOGIONQ-UHFFFAOYSA-N
XLogP2.91
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone with MolForge

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Related Compounds

[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90561180
[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 56763974
(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 29401178
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668
ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
CID 42435336
3-(benzenesulfonyl)-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90533828
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 90533837) is [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is Cc1nccn1CCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1.
What is the InChIKey of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is JMRZIDGOOGIONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-17-21-8-9-23(17)13-10-22-11-14-24(15-12-22)19(25)20(6-2-3-7-20)18-5-4-16-26-18/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3.
What are the key properties of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 372.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 90533837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).