N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide

C17H25N7O2 — CID 24507261

IUPACN-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C17H25N7O2/c1-26-12-7-18-17(25)14-23-10-8-22(9-11-23)13-16-19-20-21-24(16)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,18,25)
InChIKeyZBOZCIYJRQSFAW-UHFFFAOYSA-N
MW359.43 g/mol
LogP-0.46
Rot. Bonds8

About N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 24507261) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID24507261
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC NameN-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C17H25N7O2/c1-26-12-7-18-17(25)14-23-10-8-22(9-11-23)13-16-19-20-21-24(16)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,18,25)
InChIKeyZBOZCIYJRQSFAW-UHFFFAOYSA-N
XLogP-0.46
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 24507261) is N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide is COCCNC(=O)CN1CCN(Cc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ZBOZCIYJRQSFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-26-12-7-18-17(25)14-23-10-8-22(9-11-23)13-16-19-20-21-24(16)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,18,25).
What are the key properties of N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 359.43 g/mol, XLogP of -0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24507261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).