1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

C16H22N6O — CID 120572612

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCNC(C)C3C)n2)cc1
InChIInChI=1S/C16H22N6O/c1-11-4-6-14(7-5-11)16-18-20-22(19-16)10-15(23)21-9-8-17-12(2)13(21)3/h4-7,12-13,17H,8-10H2,1-3H3
InChIKeyFNNDNLPTGFZXQH-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.86
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (PubChem CID 120572612) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
PubChem CID120572612
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCNC(C)C3C)n2)cc1
InChIInChI=1S/C16H22N6O/c1-11-4-6-14(7-5-11)16-18-20-22(19-16)10-15(23)21-9-8-17-12(2)13(21)3/h4-7,12-13,17H,8-10H2,1-3H3
InChIKeyFNNDNLPTGFZXQH-UHFFFAOYSA-N
XLogP0.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119370606
2-[5-(4-methylphenyl)tetrazol-2-yl]-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 11906024
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513262
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 119647165
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 46979749
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide
CID 120580017
1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465605
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
N-tert-butyl-2-[4-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperazin-1-yl]acetamide
CID 9119546
2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 42922246

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (CID 120572612) is 1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is Cc1ccc(-c2nnn(CC(=O)N3CCNC(C)C3C)n2)cc1.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is FNNDNLPTGFZXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-4-6-14(7-5-11)16-18-20-22(19-16)10-15(23)21-9-8-17-12(2)13(21)3/h4-7,12-13,17H,8-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 120572612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).