N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide

C26H35N5O — CID 111218785

IUPACN'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
SMILESC/N=C(/NCc1ccccc1N1CCOCC1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H35N5O/c1-27-26(28-22-24-11-5-6-12-25(24)30-18-20-32-21-19-30)31-16-14-29(15-17-31)13-7-10-23-8-3-2-4-9-23/h2-12H,13-22H2,1H3,(H,27,28)/b10-7+
InChIKeyYYJIORYHTWZJAB-JXMROGBWSA-N
MW433.60 g/mol
LogP2.93
Rot. Bonds6

About N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide

N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide (PubChem CID 111218785) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
PubChem CID111218785
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC NameN'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
SMILESC/N=C(/NCc1ccccc1N1CCOCC1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H35N5O/c1-27-26(28-22-24-11-5-6-12-25(24)30-18-20-32-21-19-30)31-16-14-29(15-17-31)13-7-10-23-8-3-2-4-9-23/h2-12H,13-22H2,1H3,(H,27,28)/b10-7+
InChIKeyYYJIORYHTWZJAB-JXMROGBWSA-N
XLogP2.93
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 52.93
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'}

Analyze N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]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-(2-fluorophenyl)-N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148524
N'-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
CID 111512720
N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153568
N-[(4-cyanophenyl)methyl]-N'-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
CID 111218703
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
2-[[N-methyl-C-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonimidoyl]amino]-N-phenylacetamide
CID 111218395
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983986
N'-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide;hydroiodide
CID 111218572
N,N-dimethyl-4-[[[N-methyl-C-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111218626
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
CID 111218863
N-[(6-methoxy-3-pyridinyl)methyl]-N'-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
CID 111218359
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide (CID 111218785) is N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide is C/N=C(/NCc1ccccc1N1CCOCC1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide?
The InChIKey is YYJIORYHTWZJAB-JXMROGBWSA-N. The full InChI is InChI=1S/C26H35N5O/c1-27-26(28-22-24-11-5-6-12-25(24)30-18-20-32-21-19-30)31-16-14-29(15-17-31)13-7-10-23-8-3-2-4-9-23/h2-12H,13-22H2,1H3,(H,27,28)/b10-7+.
What are the key properties of N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide?
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide has a molecular weight of 433.60 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111218785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).