4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide

C24H34N6O — CID 111238453

IUPAC4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCc1cccnc1N1CCOCC1)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H34N6O/c1-19-6-4-8-22(20(19)2)28-10-12-30(13-11-28)24(25-3)27-18-21-7-5-9-26-23(21)29-14-16-31-17-15-29/h4-9H,10-18H2,1-3H3,(H,25,27)
InChIKeySZCJEALXVSGNQL-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.43
Rot. Bonds4

About 4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide

4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide (PubChem CID 111238453) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
PubChem CID111238453
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCc1cccnc1N1CCOCC1)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H34N6O/c1-19-6-4-8-22(20(19)2)28-10-12-30(13-11-28)24(25-3)27-18-21-7-5-9-26-23(21)29-14-16-31-17-15-29/h4-9H,10-18H2,1-3H3,(H,25,27)
InChIKeySZCJEALXVSGNQL-UHFFFAOYSA-N
XLogP2.43
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.43
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'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960675
4-(4-methoxyphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111242927
N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442201
4-(2-fluorophenyl)-N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148524
N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206615
2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine
CID 110979717
N'-methyl-N-[(2-methylphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219180
1-[(3-chlorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111177163
4-[[[C-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111238054
N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144466
N-[3-[[[C-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111238574
4-(2,3-dimethylphenyl)-N'-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperazine-1-carboximidamide
CID 111238485

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide (CID 111238453) is 4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide is C/N=C(\NCc1cccnc1N1CCOCC1)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide?
The InChIKey is SZCJEALXVSGNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-19-6-4-8-22(20(19)2)28-10-12-30(13-11-28)24(25-3)27-18-21-7-5-9-26-23(21)29-14-16-31-17-15-29/h4-9H,10-18H2,1-3H3,(H,25,27).
What are the key properties of 4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide?
4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide has a molecular weight of 422.58 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111238453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).