4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide

C18H27Cl2IN4O2 — CID 110962714

IUPAC4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCOc1ccc(Cl)cc1Cl)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C18H26Cl2N4O2.HI/c1-3-21-18(24-10-8-23(9-11-24)14(2)25)22-7-4-12-26-17-6-5-15(19)13-16(17)20;/h5-6,13H,3-4,7-12H2,1-2H3,(H,21,22);1H
InChIKeyAQYBVTDAENFIPR-UHFFFAOYSA-N
MW529.25 g/mol
LogP3.51
Rot. Bonds6

About 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide

4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110962714) has the molecular formula C18H27Cl2IN4O2 and a molecular weight of 529.25 g/mol. Its IUPAC name is 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110962714
Molecular FormulaC18H27Cl2IN4O2
Molecular Weight529.25 g/mol
Exact Mass528.06
IUPAC Name4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCOc1ccc(Cl)cc1Cl)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C18H26Cl2N4O2.HI/c1-3-21-18(24-10-8-23(9-11-24)14(2)25)22-7-4-12-26-17-6-5-15(19)13-16(17)20;/h5-6,13H,3-4,7-12H2,1-2H3,(H,21,22);1H
InChIKeyAQYBVTDAENFIPR-UHFFFAOYSA-N
XLogP3.51
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide 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

methyl 1-[N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111253503
4-acetyl-N'-[2-(4-chlorophenoxy)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962823
4-acetyl-N'-[2-(4-chlorophenyl)sulfanylethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963603
4-acetyl-N'-[2-(3,4-diethoxyphenyl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963202
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
CID 110963136
ethyl 4-[[N'-[3-(2,4-dichlorophenoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111085044
4-acetyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963182
2-[3-(2,4-dichlorophenoxy)propyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146450
4-acetyl-N-ethyl-N'-[(3-methoxy-4-propoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962280
4-acetyl-N-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110963484
N-[3-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 110963758
4-acetyl-N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 110962475

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide (CID 110962714) is 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCOc1ccc(Cl)cc1Cl)N1CCN(C(C)=O)CC1.I.
What is the InChIKey of 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is AQYBVTDAENFIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N4O2.HI/c1-3-21-18(24-10-8-23(9-11-24)14(2)25)22-7-4-12-26-17-6-5-15(19)13-16(17)20;/h5-6,13H,3-4,7-12H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide?
4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 529.25 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[3-(2,4-dichlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110962714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).