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

C20H28FN7O — CID 25276816

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H28FN7O/c1-16-6-8-25(9-7-16)14-19-22-23-24-28(19)15-20(29)27-12-10-26(11-13-27)18-5-3-2-4-17(18)21/h2-5,16H,6-15H2,1H3
InChIKeySLEFRADPQCARBA-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.39
Rot. Bonds5

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

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (PubChem CID 25276816) has the molecular formula C20H28FN7O and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
PubChem CID25276816
Molecular FormulaC20H28FN7O
Molecular Weight401.49 g/mol
Exact Mass401.23
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H28FN7O/c1-16-6-8-25(9-7-16)14-19-22-23-24-28(19)15-20(29)27-12-10-26(11-13-27)18-5-3-2-4-17(18)21/h2-5,16H,6-15H2,1H3
InChIKeySLEFRADPQCARBA-UHFFFAOYSA-N
XLogP1.39
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
4-[(1-{4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24817149
N-(4-fluorophenyl)-2-(5-methyl-1H-tetraazol-1-yl)acetamide
CID 685547
1-(2-Fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
CID 857739
1-(4-Fluorophenyl)-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine
CID 3209410
7-(4-fluorophenyl)-3-(propan-2-yl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 42585065
2-(5-tert-butyltetrazol-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 47073908
2-(5-tert-butyltetrazol-1-yl)-N-methyl-N-phenylacetamide
CID 47331001
2-(5-Methyl-1H-tetrazol-1-YL)-N-phenylacetamide
CID 699135
cyclopentyl(4-((1-phenyl-1H-tetrazol-5-yl)methyl)piperazin-1-yl)methanone
CID 30857622

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (CID 25276816) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is CC1CCN(Cc2nnnn2CC(=O)N2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
The InChIKey is SLEFRADPQCARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN7O/c1-16-6-8-25(9-7-16)14-19-22-23-24-28(19)15-20(29)27-12-10-26(11-13-27)18-5-3-2-4-17(18)21/h2-5,16H,6-15H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone has a molecular weight of 401.49 g/mol, XLogP of 1.39, 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-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 25276816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).