2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone

C19H21N5O2 — CID 2517869

IUPAC2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone
SMILESO=C(COn1nnc2ccccc21)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21N5O2/c25-19(15-26-24-18-9-5-4-8-17(18)20-21-24)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyIJAWABMKWCWYTJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.20
Rot. Bonds5

About 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone

2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone (PubChem CID 2517869) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone
PubChem CID2517869
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone
SMILESO=C(COn1nnc2ccccc21)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21N5O2/c25-19(15-26-24-18-9-5-4-8-17(18)20-21-24)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyIJAWABMKWCWYTJ-UHFFFAOYSA-N
XLogP1.20
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone 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 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone (CID 2517869) is 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone is O=C(COn1nnc2ccccc21)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone?
The InChIKey is IJAWABMKWCWYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(15-26-24-18-9-5-4-8-17(18)20-21-24)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone?
2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone has a molecular weight of 351.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2517869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).