1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone

C21H24N6O2 — CID 9071492

IUPAC1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(COc2ccccc2)n1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N6O2/c28-21(26-13-11-25(12-14-26)15-18-7-3-1-4-8-18)16-27-23-20(22-24-27)17-29-19-9-5-2-6-10-19/h1-10H,11-17H2
InChIKeyRAQILYKIZKBDAR-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.60
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone

1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone (PubChem CID 9071492) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
PubChem CID9071492
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(COc2ccccc2)n1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N6O2/c28-21(26-13-11-25(12-14-26)15-18-7-3-1-4-8-18)16-27-23-20(22-24-27)17-29-19-9-5-2-6-10-19/h1-10H,11-17H2
InChIKeyRAQILYKIZKBDAR-UHFFFAOYSA-N
XLogP1.60
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 9092211
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 33161785
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 55411399
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51231033
[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 59382130
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide
CID 8969759
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-phenoxybutanoate
CID 55475075

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone (CID 9071492) is 1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone is O=C(Cn1nnc(COc2ccccc2)n1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone?
The InChIKey is RAQILYKIZKBDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-21(26-13-11-25(12-14-26)15-18-7-3-1-4-8-18)16-27-23-20(22-24-27)17-29-19-9-5-2-6-10-19/h1-10H,11-17H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone has a molecular weight of 392.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 9071492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).