1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone

C15H19FN6O2 — CID 30937487

IUPAC1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN6O2/c1-24-11-15(23)21-7-5-20(6-8-21)10-14-17-18-19-22(14)13-4-2-3-12(16)9-13/h2-4,9H,5-8,10-11H2,1H3
InChIKeyBLGJUVNYRYKTGF-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.09
Rot. Bonds5

About 1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 30937487) has the molecular formula C15H19FN6O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID30937487
Molecular FormulaC15H19FN6O2
Molecular Weight334.35 g/mol
Exact Mass334.16
IUPAC Name1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN6O2/c1-24-11-15(23)21-7-5-20(6-8-21)10-14-17-18-19-22(14)13-4-2-3-12(16)9-13/h2-4,9H,5-8,10-11H2,1H3
InChIKeyBLGJUVNYRYKTGF-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

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Related Compounds

4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
1-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 2549799
4-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3184571
N-(2-Fluoro-phenyl)-2-methoxy-N-[3-methyl-1-(2-tetrazol-1-yl-ethyl)-piperidin-4-yl]-acetamide
CID 44329407
ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate
CID 1253040
4-[(1-{4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24817149
ethyl 3-(4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)piperazine-1-carboxamido)propanoate
CID 29340547
methyl 4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)piperazine-1-carboxylate
CID 30858285
2-ethoxy-1-(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)ethanone
CID 30937011
Methyl 4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine-1-carboxylate
CID 51086868
1-(2-Methoxyethyl)-4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine
CID 53534390
1-(2-Ethoxyethyl)-4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine
CID 53590620

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone (CID 30937487) is 1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is BLGJUVNYRYKTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c1-24-11-15(23)21-7-5-20(6-8-21)10-14-17-18-19-22(14)13-4-2-3-12(16)9-13/h2-4,9H,5-8,10-11H2,1H3.
What are the key properties of 1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[[1-(3-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-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 30937487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).