4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide

C16H22N6O2 — CID 111166861

IUPAC4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCCn1ccnc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H22N6O2/c1-17-16(19-5-7-20-6-4-18-13-20)22-10-8-21(9-11-22)15(23)14-3-2-12-24-14/h2-4,6,12-13H,5,7-11H2,1H3,(H,17,19)
InChIKeyPQTUBJRHCIGFNA-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.51
Rot. Bonds4

About 4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide

4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 111166861) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID111166861
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCCn1ccnc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H22N6O2/c1-17-16(19-5-7-20-6-4-18-13-20)22-10-8-21(9-11-22)15(23)14-3-2-12-24-14/h2-4,6,12-13H,5,7-11H2,1H3,(H,17,19)
InChIKeyPQTUBJRHCIGFNA-UHFFFAOYSA-N
XLogP0.51
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.51
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'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 119130518
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
4-(furan-2-carbonyl)-N'-methyl-N-(2-morpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119130385
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168514
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168602
4-(furan-2-carbonyl)-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111167439
4-(furan-2-carbonyl)-N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]piperazine-1-carboximidamide
CID 119130447
4-(furan-2-carbonyl)-N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]piperazine-1-carboximidamide
CID 111168013
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961738
4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 109401344

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide (CID 111166861) is 4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(\NCCn1ccnc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is PQTUBJRHCIGFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-17-16(19-5-7-20-6-4-18-13-20)22-10-8-21(9-11-22)15(23)14-3-2-12-24-14/h2-4,6,12-13H,5,7-11H2,1H3,(H,17,19).
What are the key properties of 4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide?
4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 330.39 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 111166861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).