N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide

C22H28N4O2 — CID 111167319

IUPACN-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1(c2ccccc2)CC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H28N4O2/c1-2-23-21(24-17-22(10-11-22)18-7-4-3-5-8-18)26-14-12-25(13-15-26)20(27)19-9-6-16-28-19/h3-9,16H,2,10-15,17H2,1H3,(H,23,24)
InChIKeyDVTDSLRJKWWQJA-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.73
Rot. Bonds5

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

N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide (PubChem CID 111167319) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide
PubChem CID111167319
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1(c2ccccc2)CC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H28N4O2/c1-2-23-21(24-17-22(10-11-22)18-7-4-3-5-8-18)26-14-12-25(13-15-26)20(27)19-9-6-16-28-19/h3-9,16H,2,10-15,17H2,1H3,(H,23,24)
InChIKeyDVTDSLRJKWWQJA-UHFFFAOYSA-N
XLogP2.73
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.73
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-ethyl-4-(furan-2-carbonyl)-N'-(3-phenylpropyl)piperazine-1-carboximidamide
CID 111166833
N'-(2,2-dimethylpropyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119130492
N-ethyl-4-(furan-2-carbonyl)-N'-[(1-morpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide
CID 111167353
N-ethyl-4-(furan-2-carbonyl)-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 111168751
N-benzyl-3-[[ethylamino-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]amino]propanamide
CID 111166443
N-ethyl-4-(furan-2-carbonyl)-N'-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111497354
N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
CID 111166041
N'-[[3-(dimethylamino)thiolan-3-yl]methyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119156821
N-ethyl-4-(furan-2-carbonyl)-N'-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboximidamide
CID 111168555
N'-(3,3-dimethylbutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111166082
N-ethyl-4-(furan-2-carbonyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166610
N'-[2-(benzylsulfamoyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111167881

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide (CID 111167319) is N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide is CCN/C(=N\CC1(c2ccccc2)CC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide?
The InChIKey is DVTDSLRJKWWQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-23-21(24-17-22(10-11-22)18-7-4-3-5-8-18)26-14-12-25(13-15-26)20(27)19-9-6-16-28-19/h3-9,16H,2,10-15,17H2,1H3,(H,23,24).
What are the key properties of N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide?
N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide has a molecular weight of 380.49 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-2-carbonyl)-N'-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111167319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).