1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone

C17H24N6O2 — CID 91945606

IUPAC1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(OCc3nnnn3C)cc2)CC1
InChIInChI=1S/C17H24N6O2/c1-3-22-8-10-23(11-9-22)17(24)12-14-4-6-15(7-5-14)25-13-16-18-19-20-21(16)2/h4-7H,3,8-13H2,1-2H3
InChIKeyJXJBIGXQQYDZDQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.50
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone (PubChem CID 91945606) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone
PubChem CID91945606
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(OCc3nnnn3C)cc2)CC1
InChIInChI=1S/C17H24N6O2/c1-3-22-8-10-23(11-9-22)17(24)12-14-4-6-15(7-5-14)25-13-16-18-19-20-21(16)2/h4-7H,3,8-13H2,1-2H3
InChIKeyJXJBIGXQQYDZDQ-UHFFFAOYSA-N
XLogP0.50
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone with MolForge

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Related Compounds

ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate
CID 91945458
2-(4-ethoxyphenyl)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937916
azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830515
1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
CID 110768049
2-(4-ethoxyphenyl)-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937243
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 121038220
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 30938837
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide
CID 91945914
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97465054

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone (CID 91945606) is 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone is CCN1CCN(C(=O)Cc2ccc(OCc3nnnn3C)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone?
The InChIKey is JXJBIGXQQYDZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-22-8-10-23(11-9-22)17(24)12-14-4-6-15(7-5-14)25-13-16-18-19-20-21(16)2/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 91945606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).