4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide

C26H37IN6 — CID 109415281

IUPAC4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(N2CCN(C)CC2)c1)N1CCC(=Cc2ccccc2)CC1.I
InChIInChI=1S/C26H36N6.HI/c1-3-27-26(32-13-10-23(11-14-32)19-22-7-5-4-6-8-22)29-21-24-9-12-28-25(20-24)31-17-15-30(2)16-18-31;/h4-9,12,19-20H,3,10-11,13-18,21H2,1-2H3,(H,27,29);1H
InChIKeyCJFPNNCHYOPSDF-UHFFFAOYSA-N
MW560.53 g/mol
LogP4.10
Rot. Bonds5

About 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide

4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 109415281) has the molecular formula C26H37IN6 and a molecular weight of 560.53 g/mol. Its IUPAC name is 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID109415281
Molecular FormulaC26H37IN6
Molecular Weight560.53 g/mol
Exact Mass560.21
IUPAC Name4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(N2CCN(C)CC2)c1)N1CCC(=Cc2ccccc2)CC1.I
InChIInChI=1S/C26H36N6.HI/c1-3-27-26(32-13-10-23(11-14-32)19-22-7-5-4-6-8-22)29-21-24-9-12-28-25(20-24)31-17-15-30(2)16-18-31;/h4-9,12,19-20H,3,10-11,13-18,21H2,1-2H3,(H,27,29);1H
InChIKeyCJFPNNCHYOPSDF-UHFFFAOYSA-N
XLogP4.10
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-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

N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221136
N-ethyl-4-phenyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962078
4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111960138
N-ethyl-4-pyridin-2-yl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111220147
N,2-diethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486433
3-[[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 109414372
4-[[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 109414793
N-ethyl-4-phenyl-N'-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960658
4-[[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 109414574
1-ethyl-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-(2-phenoxyethyl)guanidine
CID 111004559
N-ethyl-3,5-dimethyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111154175
N-ethyl-N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 110955704

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 109415281) is 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccnc(N2CCN(C)CC2)c1)N1CCC(=Cc2ccccc2)CC1.I.
What is the InChIKey of 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is CJFPNNCHYOPSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6.HI/c1-3-27-26(32-13-10-23(11-14-32)19-22-7-5-4-6-8-22)29-21-24-9-12-28-25(20-24)31-17-15-30(2)16-18-31;/h4-9,12,19-20H,3,10-11,13-18,21H2,1-2H3,(H,27,29);1H.
What are the key properties of 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?
4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 560.53 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109415281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).