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

C22H32N4OS — CID 90561180

IUPAC[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCC(C)c1nccn1CCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C22H32N4OS/c1-18(2)20-23-9-10-25(20)14-11-24-12-15-26(16-13-24)21(27)22(7-3-4-8-22)19-6-5-17-28-19/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3
InChIKeyJHUJOYWMJRPJEJ-UHFFFAOYSA-N
MW400.59 g/mol
LogP3.72
Rot. Bonds6

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

[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 90561180) has the molecular formula C22H32N4OS and a molecular weight of 400.59 g/mol. Its IUPAC name is [4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID90561180
Molecular FormulaC22H32N4OS
Molecular Weight400.59 g/mol
Exact Mass400.23
IUPAC Name[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCC(C)c1nccn1CCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C22H32N4OS/c1-18(2)20-23-9-10-25(20)14-11-24-12-15-26(16-13-24)21(27)22(7-3-4-8-22)19-6-5-17-28-19/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3
InChIKeyJHUJOYWMJRPJEJ-UHFFFAOYSA-N
XLogP3.72
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 90561180) is [4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is CC(C)c1nccn1CCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1.
What is the InChIKey of [4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is JHUJOYWMJRPJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OS/c1-18(2)20-23-9-10-25(20)14-11-24-12-15-26(16-13-24)21(27)22(7-3-4-8-22)19-6-5-17-28-19/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3.
What are the key properties of [4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 400.59 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 90561180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).