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

C15H19FN6O2 — CID 30857880

IUPAC1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN6O2/c1-24-11-15(23)21-8-6-20(7-9-21)10-14-17-18-19-22(14)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3
InChIKeyQYINSMUKOUGBRF-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.09
Rot. Bonds5

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

1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 30857880) has the molecular formula C15H19FN6O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID30857880
Molecular FormulaC15H19FN6O2
Molecular Weight334.35 g/mol
Exact Mass334.16
IUPAC Name1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN6O2/c1-24-11-15(23)21-8-6-20(7-9-21)10-14-17-18-19-22(14)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3
InChIKeyQYINSMUKOUGBRF-UHFFFAOYSA-N
XLogP0.09
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone 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 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone (CID 30857880) is 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is QYINSMUKOUGBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c1-24-11-15(23)21-8-6-20(7-9-21)10-14-17-18-19-22(14)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3.
What are the key properties of 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 334.35 g/mol, XLogP of 0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 30857880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).