[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate

C16H20N6O4 — CID 7990386

IUPAC[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate
SMILESCOc1ccc(N2CCN(C(=O)COC(=O)Cn3cnnn3)CC2)cc1
InChIInChI=1S/C16H20N6O4/c1-25-14-4-2-13(3-5-14)20-6-8-21(9-7-20)15(23)11-26-16(24)10-22-12-17-18-19-22/h2-5,12H,6-11H2,1H3
InChIKeyOTCSJFYMISHTQH-UHFFFAOYSA-N
MW360.37 g/mol
LogP-0.43
Rot. Bonds6

About [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate (PubChem CID 7990386) has the molecular formula C16H20N6O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate
PubChem CID7990386
Molecular FormulaC16H20N6O4
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate
SMILESCOc1ccc(N2CCN(C(=O)COC(=O)Cn3cnnn3)CC2)cc1
InChIInChI=1S/C16H20N6O4/c1-25-14-4-2-13(3-5-14)20-6-8-21(9-7-20)15(23)11-26-16(24)10-22-12-17-18-19-22/h2-5,12H,6-11H2,1H3
InChIKeyOTCSJFYMISHTQH-UHFFFAOYSA-N
XLogP-0.43
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-phenoxypropanoate
CID 7841528
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7671477
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 4856461
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 24981528
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 7376507
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9045580
ethyl 2-(tetrazol-1-yl)acetate
CID 14415264
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 75459737
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 55471576
2-(4-methoxyphenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9253973

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
The IUPAC name of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate (CID 7990386) is [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate.
What is the SMILES notation for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
The canonical SMILES for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate is COc1ccc(N2CCN(C(=O)COC(=O)Cn3cnnn3)CC2)cc1.
What is the InChIKey of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
The InChIKey is OTCSJFYMISHTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O4/c1-25-14-4-2-13(3-5-14)20-6-8-21(9-7-20)15(23)11-26-16(24)10-22-12-17-18-19-22/h2-5,12H,6-11H2,1H3.
What are the key properties of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate has a molecular weight of 360.37 g/mol, XLogP of -0.43, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate is sourced from PubChem (CID 7990386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).