2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone

C19H26N4O2 — CID 25284931

IUPAC2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(c3nccn3CC)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-3-21-10-9-20-19(21)23-13-11-22(12-14-23)18(24)15-16-5-7-17(8-6-16)25-4-2/h5-10H,3-4,11-15H2,1-2H3
InChIKeyUOAKABNNZDEVMF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.19
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 25284931) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID25284931
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(c3nccn3CC)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-3-21-10-9-20-19(21)23-13-11-22(12-14-23)18(24)15-16-5-7-17(8-6-16)25-4-2/h5-10H,3-4,11-15H2,1-2H3
InChIKeyUOAKABNNZDEVMF-UHFFFAOYSA-N
XLogP2.19
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone (CID 25284931) is 2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCN(c3nccn3CC)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is UOAKABNNZDEVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-21-10-9-20-19(21)23-13-11-22(12-14-23)18(24)15-16-5-7-17(8-6-16)25-4-2/h5-10H,3-4,11-15H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 25284931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).