4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide

C24H32N4O2 — CID 110962871

IUPAC4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc(OCc2ccccc2)cc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C24H32N4O2/c1-3-25-24(28-17-15-27(16-18-28)20(2)29)26-14-13-21-9-11-23(12-10-21)30-19-22-7-5-4-6-8-22/h4-12H,3,13-19H2,1-2H3,(H,25,26)
InChIKeyZMUAPRJLCNELCU-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.94
Rot. Bonds7

About 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide

4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide (PubChem CID 110962871) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide
PubChem CID110962871
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc(OCc2ccccc2)cc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C24H32N4O2/c1-3-25-24(28-17-15-27(16-18-28)20(2)29)26-14-13-21-9-11-23(12-10-21)30-19-22-7-5-4-6-8-22/h4-12H,3,13-19H2,1-2H3,(H,25,26)
InChIKeyZMUAPRJLCNELCU-UHFFFAOYSA-N
XLogP2.94
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide 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

4-acetyl-N-ethyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110962284
4-acetyl-N-ethyl-N'-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide
CID 110963723
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
4-acetyl-N'-[2-(3,4-diethoxyphenyl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963202
4-acetyl-N-ethyl-N'-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110963218
4-acetyl-N-ethyl-N'-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110963164
4-acetyl-N'-[2-(4-chlorophenoxy)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962823
4-acetyl-N-ethyl-N'-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 110963439
2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide
CID 111149100
4-acetyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963182
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220969
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427919

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide (CID 110962871) is 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide is CCN/C(=N\CCc1ccc(OCc2ccccc2)cc1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide?
The InChIKey is ZMUAPRJLCNELCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-3-25-24(28-17-15-27(16-18-28)20(2)29)26-14-13-21-9-11-23(12-10-21)30-19-22-7-5-4-6-8-22/h4-12H,3,13-19H2,1-2H3,(H,25,26).
What are the key properties of 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide has a molecular weight of 408.55 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110962871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).