2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone

C16H21FN6O2 — CID 30937011

IUPAC2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN6O2/c1-2-25-12-16(24)22-9-7-21(8-10-22)11-15-18-19-20-23(15)14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3
InChIKeyGBWRAXQDYDPGRB-UHFFFAOYSA-N
MW348.38 g/mol
LogP0.48
Rot. Bonds6

About 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone

2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 30937011) has the molecular formula C16H21FN6O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
PubChem CID30937011
Molecular FormulaC16H21FN6O2
Molecular Weight348.38 g/mol
Exact Mass348.17
IUPAC Name2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN6O2/c1-2-25-12-16(24)22-9-7-21(8-10-22)11-15-18-19-20-23(15)14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3
InChIKeyGBWRAXQDYDPGRB-UHFFFAOYSA-N
XLogP0.48
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone (CID 30937011) is 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone is CCOCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is GBWRAXQDYDPGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O2/c1-2-25-12-16(24)22-9-7-21(8-10-22)11-15-18-19-20-23(15)14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3.
What are the key properties of 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone?
2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 348.38 g/mol, XLogP of 0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30937011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).