[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone

C15H20N4OS — CID 90533826

IUPAC[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCc1nccn1CCN1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C15H20N4OS/c1-13-16-3-4-18(13)8-5-17-6-9-19(10-7-17)15(20)14-2-11-21-12-14/h2-4,11-12H,5-10H2,1H3
InChIKeyMSVIYQCLIIEBBU-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.71
Rot. Bonds4

About [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone

[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 90533826) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID90533826
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCc1nccn1CCN1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C15H20N4OS/c1-13-16-3-4-18(13)8-5-17-6-9-19(10-7-17)15(20)14-2-11-21-12-14/h2-4,11-12H,5-10H2,1H3
InChIKeyMSVIYQCLIIEBBU-UHFFFAOYSA-N
XLogP1.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone (CID 90533826) is [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone is Cc1nccn1CCN1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is MSVIYQCLIIEBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-13-16-3-4-18(13)8-5-17-6-9-19(10-7-17)15(20)14-2-11-21-12-14/h2-4,11-12H,5-10H2,1H3.
What are the key properties of [4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone?
[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 304.42 g/mol, XLogP of 1.71, 4 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]-thiophen-3-ylmethanone is sourced from PubChem (CID 90533826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).