4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide

C20H27N5O — CID 111546797

IUPAC4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCOc1cccnc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H27N5O/c1-21-20(23-10-15-26-19-8-5-9-22-16-19)25-13-11-24(12-14-25)17-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,21,23)
InChIKeyLGZUNLPFBBJVQS-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.85
Rot. Bonds6

About 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide

4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide (PubChem CID 111546797) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide
PubChem CID111546797
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCOc1cccnc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H27N5O/c1-21-20(23-10-15-26-19-8-5-9-22-16-19)25-13-11-24(12-14-25)17-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,21,23)
InChIKeyLGZUNLPFBBJVQS-UHFFFAOYSA-N
XLogP1.85
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)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

N'-methyl-N-(2-pyridin-3-yloxyethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 109414100
N-[3-[2-[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 110960386
4-benzyl-N-(2-ethoxyethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 110960562
4-benzyl-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide
CID 109400703
4-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-N'-methylpiperazine-1-carboximidamide
CID 110959721
1-benzyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111546323
4-benzyl-N-[2-(4-methoxyphenyl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 110960005
4-benzyl-N'-methyl-N-[4-(pyridin-2-ylamino)butyl]piperazine-1-carboximidamide
CID 110960223
2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834188
N-[2-(benzenesulfonyl)ethyl]-4-benzyl-N'-methylpiperazine-1-carboximidamide
CID 110960093
N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221006
N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide
CID 109402759

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide (CID 111546797) is 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide is C/N=C(\NCCOc1cccnc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide?
The InChIKey is LGZUNLPFBBJVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-21-20(23-10-15-26-19-8-5-9-22-16-19)25-13-11-24(12-14-25)17-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,21,23).
What are the key properties of 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide?
4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide has a molecular weight of 353.47 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N'-methyl-N-(2-pyridin-3-yloxyethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111546797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).