3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid

C16H21NO2 — CID 69265225

IUPAC3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid
SMILESO=C(O)CCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C16H21NO2/c18-15(19)6-10-17-11-8-16(9-12-17)7-5-13-3-1-2-4-14(13)16/h1-4H,5-12H2,(H,18,19)
InChIKeyYBKPAXYKQROUJE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds3

About 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid

3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid (PubChem CID 69265225) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid.

Molecular Properties

Compound Name3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid
PubChem CID69265225
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid
SMILESO=C(O)CCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C16H21NO2/c18-15(19)6-10-17-11-8-16(9-12-17)7-5-13-3-1-2-4-14(13)16/h1-4H,5-12H2,(H,18,19)
InChIKeyYBKPAXYKQROUJE-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid
CID 15355218
(3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride
CID 45260122
2-Spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid
CID 68895680
US10301253, Example 101
CID 122463498
Piperidine, 4-(2-indanyl)-1-methyl-, fumarate (1:1)
CID 6445077
2-(5-Methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid
CID 97504298
3-(4-Benzyl-piperidin-1-yl)-propionic acid
CID 6494457
2,3-Dihydro-1'-[2-(ethoxycarbonyl)ethyl]spiro[1H-indene-1,4'-piperidine]
CID 22509377
3-(2,3-Dihydro-1'h-spiro[indene-1,4'-piperidin]-1'-yl)propanoic acid hydrochloride
CID 69765042
Spiro(1H-indene-1,4'-piperidine)-1'-propanol
CID 69765700
(3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid
CID 106892450
3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 164634332

Frequently Asked Questions

What is the IUPAC name of 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid?
The IUPAC name of 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid (CID 69265225) is 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid.
What is the SMILES notation for 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid?
The canonical SMILES for 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid is O=C(O)CCN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid?
The InChIKey is YBKPAXYKQROUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(19)6-10-17-11-8-16(9-12-17)7-5-13-3-1-2-4-14(13)16/h1-4H,5-12H2,(H,18,19).
What are the key properties of 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid?
3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoic acid is sourced from PubChem (CID 69265225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).