4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

C18H29IN4O2 — CID 111493547

IUPAC4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESCC(=O)N1CCN(/C(=N\CCc2ccco2)NC2CCCC2)CC1.I
InChIInChI=1S/C18H28N4O2.HI/c1-15(23)21-10-12-22(13-11-21)18(20-16-5-2-3-6-16)19-9-8-17-7-4-14-24-17;/h4,7,14,16H,2-3,5-6,8-13H2,1H3,(H,19,20);1H
InChIKeyBJFVOIVDDODAPC-UHFFFAOYSA-N
MW460.36 g/mol
LogP2.49
Rot. Bonds4

About 4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111493547) has the molecular formula C18H29IN4O2 and a molecular weight of 460.36 g/mol. Its IUPAC name is 4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111493547
Molecular FormulaC18H29IN4O2
Molecular Weight460.36 g/mol
Exact Mass460.13
IUPAC Name4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESCC(=O)N1CCN(/C(=N\CCc2ccco2)NC2CCCC2)CC1.I
InChIInChI=1S/C18H28N4O2.HI/c1-15(23)21-10-12-22(13-11-21)18(20-16-5-2-3-6-16)19-9-8-17-7-4-14-24-17;/h4,7,14,16H,2-3,5-6,8-13H2,1H3,(H,19,20);1H
InChIKeyBJFVOIVDDODAPC-UHFFFAOYSA-N
XLogP2.49
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 52.49
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 110053361
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
ethyl 1-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110053251
N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
CID 110057464
N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide
CID 110056278
N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057373
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059883
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111841705
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea
CID 110749038
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
N'-[2-(furan-2-yl)ethyl]-4-methyl-N-propan-2-ylpiperidine-1-carboximidamide;hydroiodide
CID 119139910

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (CID 111493547) is 4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is CC(=O)N1CCN(/C(=N\CCc2ccco2)NC2CCCC2)CC1.I.
What is the InChIKey of 4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is BJFVOIVDDODAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.HI/c1-15(23)21-10-12-22(13-11-21)18(20-16-5-2-3-6-16)19-9-8-17-7-4-14-24-17;/h4,7,14,16H,2-3,5-6,8-13H2,1H3,(H,19,20);1H.
What are the key properties of 4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 460.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111493547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).