2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride

C21H29Cl2N3O2 — CID 3068838

IUPAC2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)COCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2.2ClH/c22-20(25)17-26-16-15-23-11-13-24(14-12-23)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;/h1-10,21H,11-17H2,(H2,22,25);2*1H
InChIKeyIMPFZLMZRCBJTE-UHFFFAOYSA-N
MW426.39 g/mol
LogP2.74
Rot. Bonds8

About 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride

2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride (PubChem CID 3068838) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride
PubChem CID3068838
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)COCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2.2ClH/c22-20(25)17-26-16-15-23-11-13-24(14-12-23)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;/h1-10,21H,11-17H2,(H2,22,25);2*1H
InChIKeyIMPFZLMZRCBJTE-UHFFFAOYSA-N
XLogP2.74
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride 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-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride?
The IUPAC name of 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride (CID 3068838) is 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride is Cl.Cl.NC(=O)COCCN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride?
The InChIKey is IMPFZLMZRCBJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c22-20(25)17-26-16-15-23-11-13-24(14-12-23)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;/h1-10,21H,11-17H2,(H2,22,25);2*1H.
What are the key properties of 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride?
2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetamide;dihydrochloride is sourced from PubChem (CID 3068838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).