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

C14H17NO2 — CID 66954084

IUPACspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C14H17NO2/c16-13(17)15-9-7-14(8-10-15)6-5-11-3-1-2-4-12(11)14/h1-4H,5-10H2,(H,16,17)
InChIKeyZLBXMYOTLVNGOL-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.64
Rot. Bonds

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

spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 66954084) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
PubChem CID66954084
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namespiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C14H17NO2/c16-13(17)15-9-7-14(8-10-15)6-5-11-3-1-2-4-12(11)14/h1-4H,5-10H2,(H,16,17)
InChIKeyZLBXMYOTLVNGOL-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-methyl-3-pyridinyl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97452662
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 72863540
tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate
CID 67769577
2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxylic acid
CID 68828702
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892
2,2-diphenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)acetamide
CID 58685219
1,3-benzothiazol-6-yl(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 74237717
ethane;methanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339109
4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one
CID 131895804
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155504807
N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 125438640

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid (CID 66954084) is spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is ZLBXMYOTLVNGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13(17)15-9-7-14(8-10-15)6-5-11-3-1-2-4-12(11)14/h1-4H,5-10H2,(H,16,17).
What are the key properties of spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 66954084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).