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

C20H21FN6O2 — CID 1373946

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone
SMILESCOc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C20H21FN6O2/c1-29-18-8-2-15(3-9-18)20-22-24-27(23-20)14-19(28)26-12-10-25(11-13-26)17-6-4-16(21)5-7-17/h2-9H,10-14H2,1H3
InChIKeyYHNZLNPLPDSMDF-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.84
Rot. Bonds5

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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone (PubChem CID 1373946) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone
PubChem CID1373946
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone
SMILESCOc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C20H21FN6O2/c1-29-18-8-2-15(3-9-18)20-22-24-27(23-20)14-19(28)26-12-10-25(11-13-26)17-6-4-16(21)5-7-17/h2-9H,10-14H2,1H3
InChIKeyYHNZLNPLPDSMDF-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

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

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Related Compounds

N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 49872868
1-(3-Methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170934
2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
N-[(4-methoxyphenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
CID 49872583
N-[(3-methoxyphenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872682
N-[(4-methoxyphenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872683
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 49872867
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(3-methoxyphenyl)methyl]pentanamide
CID 49872869
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-methoxyphenyl)methyl]pentanamide
CID 49872870
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 49872871
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 49872960
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 646240

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone (CID 1373946) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone is COc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone?
The InChIKey is YHNZLNPLPDSMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-29-18-8-2-15(3-9-18)20-22-24-27(23-20)14-19(28)26-12-10-25(11-13-26)17-6-4-16(21)5-7-17/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-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-(4-fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 1373946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).