4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide

C24H28N4O3 — CID 111539277

IUPAC4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
SMILESO=C(c1ccco1)N1CCN(/C(=N/CCc2ccco2)NCCc2ccccc2)CC1
InChIInChI=1S/C24H28N4O3/c29-23(22-9-5-19-31-22)27-14-16-28(17-15-27)24(26-13-11-21-8-4-18-30-21)25-12-10-20-6-2-1-3-7-20/h1-9,18-19H,10-17H2,(H,25,26)
InChIKeyVLGQLLMZZSPOOS-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.06
Rot. Bonds7

About 4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide

4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide (PubChem CID 111539277) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
PubChem CID111539277
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
SMILESO=C(c1ccco1)N1CCN(/C(=N/CCc2ccco2)NCCc2ccccc2)CC1
InChIInChI=1S/C24H28N4O3/c29-23(22-9-5-19-31-22)27-14-16-28(17-15-27)24(26-13-11-21-8-4-18-30-21)25-12-10-20-6-2-1-3-7-20/h1-9,18-19H,10-17H2,(H,25,26)
InChIKeyVLGQLLMZZSPOOS-UHFFFAOYSA-N
XLogP3.06
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 136920644
N'-[2-(furan-2-yl)ethyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-phenylethyl)piperazine-1-carboximidamide
CID 110053676
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111541116
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168514
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111167781
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111167780
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111539273
N'-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 110053616
N'-(3-ethoxypropyl)-4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111166558
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)piperazine-1-carboximidamide;hydroiodide
CID 111168144
N-ethyl-4-(furan-2-carbonyl)-N'-(3-phenylpropyl)piperazine-1-carboximidamide
CID 111166833

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide (CID 111539277) is 4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide is O=C(c1ccco1)N1CCN(/C(=N/CCc2ccco2)NCCc2ccccc2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide?
The InChIKey is VLGQLLMZZSPOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-23(22-9-5-19-31-22)27-14-16-28(17-15-27)24(26-13-11-21-8-4-18-30-21)25-12-10-20-6-2-1-3-7-20/h1-9,18-19H,10-17H2,(H,25,26).
What are the key properties of 4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide?
4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide has a molecular weight of 420.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111539277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).