1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]

C21H27NO3 — CID 134077739

IUPAC1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCOCCOC1CC2(CCN(Cc3ccco3)CC2)c2ccccc21
InChIInChI=1S/C21H27NO3/c1-23-13-14-25-20-15-21(19-7-3-2-6-18(19)20)8-10-22(11-9-21)16-17-5-4-12-24-17/h2-7,12,20H,8-11,13-16H2,1H3
InChIKeyLDFNPSCPMWXIKL-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.92
Rot. Bonds6

About 1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]

1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 134077739) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID134077739
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCOCCOC1CC2(CCN(Cc3ccco3)CC2)c2ccccc21
InChIInChI=1S/C21H27NO3/c1-23-13-14-25-20-15-21(19-7-3-2-6-18(19)20)8-10-22(11-9-21)16-17-5-4-12-24-17/h2-7,12,20H,8-11,13-16H2,1H3
InChIKeyLDFNPSCPMWXIKL-UHFFFAOYSA-N
XLogP3.92
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1'-(furan-2-ylmethyl)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375643
1'-(furan-2-ylmethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 97375673
2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376261
N,N-dimethyl-2-[(1S)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375833
(3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
CID 124813445
4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
CID 117011999
[1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone
CID 131662640
8-(furan-2-ylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746867
(4R)-8-[(4-fluorophenyl)methyl]-2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 124795333
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
1-benzyl-1'-(furan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375659
(1R)-7-(furan-2-ylmethyl)-2-methyl-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415566

Frequently Asked Questions

What is the IUPAC name of 1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine] (CID 134077739) is 1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine] is COCCOC1CC2(CCN(Cc3ccco3)CC2)c2ccccc21.
What is the InChIKey of 1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is LDFNPSCPMWXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-23-13-14-25-20-15-21(19-7-3-2-6-18(19)20)8-10-22(11-9-21)16-17-5-4-12-24-17/h2-7,12,20H,8-11,13-16H2,1H3.
What are the key properties of 1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]?
1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 341.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(furan-2-ylmethyl)-1-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 134077739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).