N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide

C24H35N5O3 — CID 111166135

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
SMILESCCN(CC)C(CN/C(=N\C)N1CCN(C(=O)c2ccco2)CC1)c1cccc(OC)c1
InChIInChI=1S/C24H35N5O3/c1-5-27(6-2)21(19-9-7-10-20(17-19)31-4)18-26-24(25-3)29-14-12-28(13-15-29)23(30)22-11-8-16-32-22/h7-11,16-17,21H,5-6,12-15,18H2,1-4H3,(H,25,26)
InChIKeyHNPJQRHYXUBHIL-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.70
Rot. Bonds8

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 111166135) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID111166135
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
SMILESCCN(CC)C(CN/C(=N\C)N1CCN(C(=O)c2ccco2)CC1)c1cccc(OC)c1
InChIInChI=1S/C24H35N5O3/c1-5-27(6-2)21(19-9-7-10-20(17-19)31-4)18-26-24(25-3)29-14-12-28(13-15-29)23(30)22-11-8-16-32-22/h7-11,16-17,21H,5-6,12-15,18H2,1-4H3,(H,25,26)
InChIKeyHNPJQRHYXUBHIL-UHFFFAOYSA-N
XLogP2.70
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.70
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

4-(furan-2-carbonyl)-N-[(3-methoxyphenyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168092
4-(furan-2-carbonyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168767
ethyl 4-[N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164647
N-ethyl-4-(furan-2-carbonyl)-N'-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 111166181
methyl 3-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 111167646
N-[(2,4-dimethoxyphenyl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168095
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168637
4-(furan-2-carbonyl)-N-[3-(4-methoxyphenoxy)propyl]-N'-methylpiperazine-1-carboximidamide
CID 111167107
4-(furan-2-carbonyl)-N'-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboximidamide
CID 111168323
N-[2-(2,6-dichlorophenyl)propyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167209
4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide
CID 111168183
N-[2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111166344

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide (CID 111166135) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide is CCN(CC)C(CN/C(=N\C)N1CCN(C(=O)c2ccco2)CC1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is HNPJQRHYXUBHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-5-27(6-2)21(19-9-7-10-20(17-19)31-4)18-26-24(25-3)29-14-12-28(13-15-29)23(30)22-11-8-16-32-22/h7-11,16-17,21H,5-6,12-15,18H2,1-4H3,(H,25,26).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 441.58 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 111166135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).