3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine

C16H23N3O — CID 114705230

IUPAC3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine
SMILESCc1cc(C(C)n2cncc2C2CCCNC2)c(C)o1
InChIInChI=1S/C16H23N3O/c1-11-7-15(13(3)20-11)12(2)19-10-18-9-16(19)14-5-4-6-17-8-14/h7,9-10,12,14,17H,4-6,8H2,1-3H3
InChIKeyQAQDWJDXAGUPEL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.17
Rot. Bonds3

About 3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine

3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine (PubChem CID 114705230) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine
PubChem CID114705230
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine
SMILESCc1cc(C(C)n2cncc2C2CCCNC2)c(C)o1
InChIInChI=1S/C16H23N3O/c1-11-7-15(13(3)20-11)12(2)19-10-18-9-16(19)14-5-4-6-17-8-14/h7,9-10,12,14,17H,4-6,8H2,1-3H3
InChIKeyQAQDWJDXAGUPEL-UHFFFAOYSA-N
XLogP3.17
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
CID 114704110
3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole
CID 114721129
3-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705204
1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114717627
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
2-(5-piperidin-3-ylimidazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114707049
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one
CID 114707115
[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine
CID 114705228
1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
CID 114722129
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine (CID 114705230) is 3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine is Cc1cc(C(C)n2cncc2C2CCCNC2)c(C)o1.
What is the InChIKey of 3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is QAQDWJDXAGUPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-7-15(13(3)20-11)12(2)19-10-18-9-16(19)14-5-4-6-17-8-14/h7,9-10,12,14,17H,4-6,8H2,1-3H3.
What are the key properties of 3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine?
3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 273.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114705230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).