2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone

C14H18N6O — CID 84759786

IUPAC2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone
SMILESCc1cccc(-c2nnnn2CC(=O)N2CCNCC2)c1
InChIInChI=1S/C14H18N6O/c1-11-3-2-4-12(9-11)14-16-17-18-20(14)10-13(21)19-7-5-15-6-8-19/h2-4,9,15H,5-8,10H2,1H3
InChIKeyXUWBRDHLSWUTHG-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.08
Rot. Bonds3

About 2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone

2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone (PubChem CID 84759786) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone
PubChem CID84759786
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone
SMILESCc1cccc(-c2nnnn2CC(=O)N2CCNCC2)c1
InChIInChI=1S/C14H18N6O/c1-11-3-2-4-12(9-11)14-16-17-18-20(14)10-13(21)19-7-5-15-6-8-19/h2-4,9,15H,5-8,10H2,1H3
InChIKeyXUWBRDHLSWUTHG-UHFFFAOYSA-N
XLogP0.08
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
CID 83968777
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone
CID 9421864
3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82509687
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 62129908
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
2-[5-(3-methylsulfonylphenyl)tetrazol-1-yl]acetic acid
CID 66043770
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 82694012
2-[methyl-[1-(3-methylphenyl)ethyl]amino]-1-piperazin-1-ylethanone
CID 61310486

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone (CID 84759786) is 2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone is Cc1cccc(-c2nnnn2CC(=O)N2CCNCC2)c1.
What is the InChIKey of 2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is XUWBRDHLSWUTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-11-3-2-4-12(9-11)14-16-17-18-20(14)10-13(21)19-7-5-15-6-8-19/h2-4,9,15H,5-8,10H2,1H3.
What are the key properties of 2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone?
2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 286.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 84759786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).