N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide

C21H32N4O2 — CID 111168353

IUPACN'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCC1CC2CCC1C2)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H32N4O2/c1-2-22-21(23-8-7-18-15-16-5-6-17(18)14-16)25-11-9-24(10-12-25)20(26)19-4-3-13-27-19/h3-4,13,16-18H,2,5-12,14-15H2,1H3,(H,22,23)
InChIKeyWVYVOOFVGSNNQW-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.83
Rot. Bonds5

About N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide

N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide (PubChem CID 111168353) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide
PubChem CID111168353
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCC1CC2CCC1C2)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H32N4O2/c1-2-22-21(23-8-7-18-15-16-5-6-17(18)14-16)25-11-9-24(10-12-25)20(26)19-4-3-13-27-19/h3-4,13,16-18H,2,5-12,14-15H2,1H3,(H,22,23)
InChIKeyWVYVOOFVGSNNQW-UHFFFAOYSA-N
XLogP2.83
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.83
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'-(2-cyclohexylethyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111167054
N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
CID 111166041
N'-(3,3-dimethylbutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111166082
N-ethyl-4-(furan-2-carbonyl)-N'-(3-phenylpropyl)piperazine-1-carboximidamide
CID 111166833
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206042
N'-(4-ethoxybutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111167865
N-ethyl-4-(furan-2-carbonyl)-N'-[3-(4-hydroxypiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111168186
N'-(4-ethoxybutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111167864
N-ethyl-4-(furan-2-carbonyl)-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 111168751
N-ethyl-N'-[2-(ethylsulfonylamino)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111166415
N-ethyl-4-(furan-2-carbonyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111166993
N-benzyl-3-[[ethylamino-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]amino]propanamide
CID 111166443

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide?
The IUPAC name of N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide (CID 111168353) is N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide is CCN/C(=N\CCC1CC2CCC1C2)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide?
The InChIKey is WVYVOOFVGSNNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-2-22-21(23-8-7-18-15-16-5-6-17(18)14-16)25-11-9-24(10-12-25)20(26)19-4-3-13-27-19/h3-4,13,16-18H,2,5-12,14-15H2,1H3,(H,22,23).
What are the key properties of N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide?
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide has a molecular weight of 372.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111168353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).