4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide

C26H31N5O2 — CID 111132701

IUPAC4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(Cn2ccccc2=O)cc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H31N5O2/c1-27-26(30-17-15-29(16-18-30)23-7-3-4-8-24(23)33-2)28-19-21-10-12-22(13-11-21)20-31-14-6-5-9-25(31)32/h3-14H,15-20H2,1-2H3,(H,27,28)
InChIKeyINYLPXHCSDTFPO-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.80
Rot. Bonds6

About 4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide

4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide (PubChem CID 111132701) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide
PubChem CID111132701
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(Cn2ccccc2=O)cc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H31N5O2/c1-27-26(30-17-15-29(16-18-30)23-7-3-4-8-24(23)33-2)28-19-21-10-12-22(13-11-21)20-31-14-6-5-9-25(31)32/h3-14H,15-20H2,1-2H3,(H,27,28)
InChIKeyINYLPXHCSDTFPO-UHFFFAOYSA-N
XLogP2.80
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133655
4-(2-methoxyphenyl)-N'-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111132665
methyl 4-[[[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzoate
CID 111132525
N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219364
4-(2-methoxyphenyl)-N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111133328
N-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111132617
N-[4-[[[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111133677
4-(2-methoxyphenyl)-N'-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111133540
4-(2-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111133651
4-(2-methoxyphenyl)-N'-methyl-N-[(3-sulfamoylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111133200
methyl 3-[[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]propanoate
CID 111133525
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine
CID 111281303

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide (CID 111132701) is 4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide is C/N=C(\NCc1ccc(Cn2ccccc2=O)cc1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide?
The InChIKey is INYLPXHCSDTFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-27-26(30-17-15-29(16-18-30)23-7-3-4-8-24(23)33-2)28-19-21-10-12-22(13-11-21)20-31-14-6-5-9-25(31)32/h3-14H,15-20H2,1-2H3,(H,27,28).
What are the key properties of 4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide?
4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide has a molecular weight of 445.57 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111132701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).