(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone

C21H24N6O2 — CID 30936153

IUPAC(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N6O2/c1-2-29-19-10-8-17(9-11-19)21(28)26-14-12-25(13-15-26)16-20-22-23-24-27(20)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKeyFQJKYDOUKUJZDM-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.02
Rot. Bonds6

About (4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone

(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 30936153) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID30936153
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N6O2/c1-2-29-19-10-8-17(9-11-19)21(28)26-14-12-25(13-15-26)16-20-22-23-24-27(20)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKeyFQJKYDOUKUJZDM-UHFFFAOYSA-N
XLogP2.02
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 30938779
1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30858415
[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 30938716
1,3-benzodioxol-5-yl-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938712
(2R)-1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 30858453
1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 30938837
(4-methoxyphenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937802
(4-chlorophenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 47536185
(4-fluorophenyl)-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938400
(4-bromophenyl)-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938413
2-(4-ethoxyphenoxy)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937902
2-(4-ethoxyphenyl)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937916

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone (CID 30936153) is (4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is FQJKYDOUKUJZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-29-19-10-8-17(9-11-19)21(28)26-14-12-25(13-15-26)16-20-22-23-24-27(20)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30936153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).