1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone

C20H21FN6O2 — CID 17494005

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
SMILESCOc1cccc(-c2nnn(CC(=O)N3CCN(c4ccccc4F)CC3)n2)c1
InChIInChI=1S/C20H21FN6O2/c1-29-16-6-4-5-15(13-16)20-22-24-27(23-20)14-19(28)26-11-9-25(10-12-26)18-8-3-2-7-17(18)21/h2-8,13H,9-12,14H2,1H3
InChIKeyHBJGZKATJOZYHU-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.84
Rot. Bonds5

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone (PubChem CID 17494005) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
PubChem CID17494005
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
SMILESCOc1cccc(-c2nnn(CC(=O)N3CCN(c4ccccc4F)CC3)n2)c1
InChIInChI=1S/C20H21FN6O2/c1-29-16-6-4-5-15(13-16)20-22-24-27(23-20)14-19(28)26-11-9-25(10-12-26)18-8-3-2-7-17(18)21/h2-8,13H,9-12,14H2,1H3
InChIKeyHBJGZKATJOZYHU-UHFFFAOYSA-N
XLogP1.84
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 645863
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 7257545
2-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 16885193
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 40919493
1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 9266886
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 46979968
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346964
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52902771
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
CID 41176677
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone (CID 17494005) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone is COc1cccc(-c2nnn(CC(=O)N3CCN(c4ccccc4F)CC3)n2)c1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone?
The InChIKey is HBJGZKATJOZYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-29-16-6-4-5-15(13-16)20-22-24-27(23-20)14-19(28)26-11-9-25(10-12-26)18-8-3-2-7-17(18)21/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone has a molecular weight of 396.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 17494005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).