4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide

C22H28N4O — CID 111291299

IUPAC4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide
SMILESC/N=C(/NC1CC1c1ccccc1)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C22H28N4O/c1-23-22(24-21-16-20(21)17-7-4-3-5-8-17)26-13-11-25(12-14-26)18-9-6-10-19(15-18)27-2/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,23,24)
InChIKeyYJMCAMKBJGFPBZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.95
Rot. Bonds4

About 4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide

4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide (PubChem CID 111291299) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide
PubChem CID111291299
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide
SMILESC/N=C(/NC1CC1c1ccccc1)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C22H28N4O/c1-23-22(24-21-16-20(21)17-7-4-3-5-8-17)26-13-11-25(12-14-26)18-9-6-10-19(15-18)27-2/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,23,24)
InChIKeyYJMCAMKBJGFPBZ-UHFFFAOYSA-N
XLogP2.95
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 110962172
N-[2-(2-fluorophenyl)cyclopropyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290119
N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119153328
N-ethyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111290436
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 111290635
4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111242887
4-(3-methoxyphenyl)-N'-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111290543
N-[[4-(methoxymethyl)phenyl]methyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111289968
4-(3-methoxyphenyl)-N'-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111290958
4-(3-methoxyphenyl)-N'-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111289996
N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 111723639
N-(5-methoxypentyl)-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290233

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide (CID 111291299) is 4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide is C/N=C(/NC1CC1c1ccccc1)N1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide?
The InChIKey is YJMCAMKBJGFPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-23-22(24-21-16-20(21)17-7-4-3-5-8-17)26-13-11-25(12-14-26)18-9-6-10-19(15-18)27-2/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,23,24).
What are the key properties of 4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide?
4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide has a molecular weight of 364.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111291299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).