N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide

C17H28N4O2 — CID 111166041

IUPACN-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
SMILESCCCCC/N=C(\NCC)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-5-6-9-19-17(18-4-2)21-12-10-20(11-13-21)16(22)15-8-7-14-23-15/h7-8,14H,3-6,9-13H2,1-2H3,(H,18,19)
InChIKeyKENLJGHVELLLMO-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.19
Rot. Bonds6

About N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide

N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide (PubChem CID 111166041) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
PubChem CID111166041
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
SMILESCCCCC/N=C(\NCC)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-5-6-9-19-17(18-4-2)21-12-10-20(11-13-21)16(22)15-8-7-14-23-15/h7-8,14H,3-6,9-13H2,1-2H3,(H,18,19)
InChIKeyKENLJGHVELLLMO-UHFFFAOYSA-N
XLogP2.19
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111166993
N-ethyl-4-(furan-2-carbonyl)-N'-(3-phenylpropyl)piperazine-1-carboximidamide
CID 111166833
N'-(4-ethoxybutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111167865
N'-(4-ethoxybutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111167864
N-ethyl-4-(furan-2-carbonyl)-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111167237
ethyl 7-[[ethylamino-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]amino]heptanoate
CID 111168617
N-ethyl-4-(furan-2-carbonyl)-N'-[4-(2-oxo-1-pyridinyl)butyl]piperazine-1-carboximidamide
CID 111168957
N'-(3,3-dimethylbutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111166082
N-ethyl-4-(furan-2-carbonyl)-N'-[3-(4-hydroxypiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111168186
N-ethyl-4-(furan-2-carbonyl)-N'-[3-(4-methylphenoxy)propyl]piperazine-1-carboximidamide
CID 111166431
N-ethyl-4-(furan-2-carbonyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111166124
N-ethyl-4-(furan-2-carbonyl)-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 111168751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide (CID 111166041) is N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide is CCCCC/N=C(\NCC)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide?
The InChIKey is KENLJGHVELLLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-5-6-9-19-17(18-4-2)21-12-10-20(11-13-21)16(22)15-8-7-14-23-15/h7-8,14H,3-6,9-13H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide?
N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide has a molecular weight of 320.44 g/mol, XLogP of 2.19, 6 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'-pentylpiperazine-1-carboximidamide is sourced from PubChem (CID 111166041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).