N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

C17H29IN4O — CID 119114411

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC(c1ccco1)N1CCCCC1)N1CCCC1.I
InChIInChI=1S/C17H28N4O.HI/c1-18-17(21-11-5-6-12-21)19-14-15(16-8-7-13-22-16)20-9-3-2-4-10-20;/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,18,19);1H
InChIKeyABYARDHLCSFOEK-UHFFFAOYSA-N
MW432.35 g/mol
LogP3.10
Rot. Bonds4

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119114411) has the molecular formula C17H29IN4O and a molecular weight of 432.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119114411
Molecular FormulaC17H29IN4O
Molecular Weight432.35 g/mol
Exact Mass432.14
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC(c1ccco1)N1CCCCC1)N1CCCC1.I
InChIInChI=1S/C17H28N4O.HI/c1-18-17(21-11-5-6-12-21)19-14-15(16-8-7-13-22-16)20-9-3-2-4-10-20;/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,18,19);1H
InChIKeyABYARDHLCSFOEK-UHFFFAOYSA-N
XLogP3.10
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 53.10
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

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377573
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738364
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732603
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220361
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 71931332
2-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485118
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001946
3-benzyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111724655
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981921
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111303644
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001979

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (CID 119114411) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCC(c1ccco1)N1CCCCC1)N1CCCC1.I.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ABYARDHLCSFOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.HI/c1-18-17(21-11-5-6-12-21)19-14-15(16-8-7-13-22-16)20-9-3-2-4-10-20;/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119114411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).