4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide

C17H29N3O3 — CID 111958114

IUPAC4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCOCc2ccco2)CC1
InChIInChI=1S/C17H29N3O3/c1-3-22-15-7-10-20(11-8-15)17(18-2)19-9-5-12-21-14-16-6-4-13-23-16/h4,6,13,15H,3,5,7-12,14H2,1-2H3,(H,18,19)
InChIKeyFDJYUFRDOVYSQM-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.26
Rot. Bonds8

About 4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide

4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 111958114) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID111958114
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCOCc2ccco2)CC1
InChIInChI=1S/C17H29N3O3/c1-3-22-15-7-10-20(11-8-15)17(18-2)19-9-5-12-21-14-16-6-4-13-23-16/h4,6,13,15H,3,5,7-12,14H2,1-2H3,(H,18,19)
InChIKeyFDJYUFRDOVYSQM-UHFFFAOYSA-N
XLogP2.26
TPSA59.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153081
3-benzyl-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111725593
2-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485937
4-ethoxy-N-[3-[(4-methoxyphenyl)methoxy]propyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959684
3-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 86843944
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398997
4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111960178
N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
CID 111958471
4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111958661
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398996
4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide
CID 111958249

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide (CID 111958114) is 4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCCCOCc2ccco2)CC1.
What is the InChIKey of 4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is FDJYUFRDOVYSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-3-22-15-7-10-20(11-8-15)17(18-2)19-9-5-12-21-14-16-6-4-13-23-16/h4,6,13,15H,3,5,7-12,14H2,1-2H3,(H,18,19).
What are the key properties of 4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide?
4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 323.44 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111958114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).