4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide

C24H33N5O3 — CID 111168183

IUPAC4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCC(c1cccc(C)c1)N1CCOCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H33N5O3/c1-19-5-3-6-20(17-19)21(27-12-15-31-16-13-27)18-26-24(25-2)29-10-8-28(9-11-29)23(30)22-7-4-14-32-22/h3-7,14,17,21H,8-13,15-16,18H2,1-2H3,(H,25,26)
InChIKeyWEKAPWFKJGIFGJ-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.99
Rot. Bonds5

About 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide

4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide (PubChem CID 111168183) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide
PubChem CID111168183
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCC(c1cccc(C)c1)N1CCOCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H33N5O3/c1-19-5-3-6-20(17-19)21(27-12-15-31-16-13-27)18-26-24(25-2)29-10-8-28(9-11-29)23(30)22-7-4-14-32-22/h3-7,14,17,21H,8-13,15-16,18H2,1-2H3,(H,25,26)
InChIKeyWEKAPWFKJGIFGJ-UHFFFAOYSA-N
XLogP1.99
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.99
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-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167120
4-(furan-2-carbonyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168767
3-(furan-2-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110304126
N-[2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 111168079
4-(furan-2-carbonyl)-N'-methyl-N-(2-morpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119130385
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
4-(furan-2-carbonyl)-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111168898
N-[2-(2,6-dichlorophenyl)propyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167209
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111167001
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
methyl 3-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 111167646

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide (CID 111168183) is 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide is C/N=C(\NCC(c1cccc(C)c1)N1CCOCC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide?
The InChIKey is WEKAPWFKJGIFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-19-5-3-6-20(17-19)21(27-12-15-31-16-13-27)18-26-24(25-2)29-10-8-28(9-11-29)23(30)22-7-4-14-32-22/h3-7,14,17,21H,8-13,15-16,18H2,1-2H3,(H,25,26).
What are the key properties of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide?
4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide has a molecular weight of 439.56 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111168183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).