ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate

C26H32FNO3 — CID 139461961

IUPACethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate
SMILESCCOC(=O)CN1CCC2(CC1)Cc1ccc(OCc3c(F)cccc3CC)cc1C2
InChIInChI=1S/C26H32FNO3/c1-3-19-6-5-7-24(27)23(19)18-31-22-9-8-20-15-26(16-21(20)14-22)10-12-28(13-11-26)17-25(29)30-4-2/h5-9,14H,3-4,10-13,15-18H2,1-2H3
InChIKeyGREPIUMXPRKXNY-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.71
Rot. Bonds7

About ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate

ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate (PubChem CID 139461961) has the molecular formula C26H32FNO3 and a molecular weight of 425.54 g/mol. Its IUPAC name is ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate
PubChem CID139461961
Molecular FormulaC26H32FNO3
Molecular Weight425.54 g/mol
Exact Mass425.24
IUPAC Nameethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate
SMILESCCOC(=O)CN1CCC2(CC1)Cc1ccc(OCc3c(F)cccc3CC)cc1C2
InChIInChI=1S/C26H32FNO3/c1-3-19-6-5-7-24(27)23(19)18-31-22-9-8-20-15-26(16-21(20)14-22)10-12-28(13-11-26)17-25(29)30-4-2/h5-9,14H,3-4,10-13,15-18H2,1-2H3
InChIKeyGREPIUMXPRKXNY-UHFFFAOYSA-N
XLogP4.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate?
The IUPAC name of ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate (CID 139461961) is ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate is CCOC(=O)CN1CCC2(CC1)Cc1ccc(OCc3c(F)cccc3CC)cc1C2.
What is the InChIKey of ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate?
The InChIKey is GREPIUMXPRKXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FNO3/c1-3-19-6-5-7-24(27)23(19)18-31-22-9-8-20-15-26(16-21(20)14-22)10-12-28(13-11-26)17-25(29)30-4-2/h5-9,14H,3-4,10-13,15-18H2,1-2H3.
What are the key properties of ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate?
ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate has a molecular weight of 425.54 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(2-ethyl-6-fluorophenyl)methoxy]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]acetate is sourced from PubChem (CID 139461961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).