2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid

C16H20FNO3 — CID 134078077

IUPAC2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid
SMILESCOC1CC2(CCN(CC(=O)O)CC2)c2cc(F)ccc21
InChIInChI=1S/C16H20FNO3/c1-21-14-9-16(13-8-11(17)2-3-12(13)14)4-6-18(7-5-16)10-15(19)20/h2-3,8,14H,4-7,9-10H2,1H3,(H,19,20)
InChIKeyOYMTYACIALPLNJ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.34
Rot. Bonds3

About 2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid

2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid (PubChem CID 134078077) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid
PubChem CID134078077
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid
SMILESCOC1CC2(CCN(CC(=O)O)CC2)c2cc(F)ccc21
InChIInChI=1S/C16H20FNO3/c1-21-14-9-16(13-8-11(17)2-3-12(13)14)4-6-18(7-5-16)10-15(19)20/h2-3,8,14H,4-7,9-10H2,1H3,(H,19,20)
InChIKeyOYMTYACIALPLNJ-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738956
1-(5-Fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738957
1-(1-Ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118738962
2-(1-Ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol
CID 118739108
1-[1-(Cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone
CID 131656922
1-(Cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 134079309
2-[4-[[2-(4-Fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid
CID 19874348
1-[(1R)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
CID 97400547
1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
CID 97400548
1-[(1S)-5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
CID 97415973
1-[(1R)-5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
CID 97415974
(1R)-5-fluoro-1-methoxy-1'-[(3R)-oxolan-3-yl]spiro[1,2-dihydroindene-3,4'-piperidine]
CID 97504255

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid (CID 134078077) is 2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid is COC1CC2(CCN(CC(=O)O)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid?
The InChIKey is OYMTYACIALPLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-21-14-9-16(13-8-11(17)2-3-12(13)14)4-6-18(7-5-16)10-15(19)20/h2-3,8,14H,4-7,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid?
2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid has a molecular weight of 293.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid is sourced from PubChem (CID 134078077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).