2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone

C15H24N2OS — CID 63634796

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CCN(C)C(CC)C2)s1
InChIInChI=1S/C15H24N2OS/c1-4-12-10-17(9-8-16(12)3)11-14(18)15-7-6-13(5-2)19-15/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyWHMWSTANAGHHIR-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone

2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 63634796) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID63634796
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CCN(C)C(CC)C2)s1
InChIInChI=1S/C15H24N2OS/c1-4-12-10-17(9-8-16(12)3)11-14(18)15-7-6-13(5-2)19-15/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyWHMWSTANAGHHIR-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone (CID 63634796) is 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CN2CCN(C)C(CC)C2)s1.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is WHMWSTANAGHHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-12-10-17(9-8-16(12)3)11-14(18)15-7-6-13(5-2)19-15/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 280.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 63634796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).