6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid

C20H20N2O2 — CID 122558950

IUPAC6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CCC3(C=Cc4ccccc43)CC2)n1
InChIInChI=1S/C20H20N2O2/c23-19(24)18-7-3-5-16(21-18)14-22-12-10-20(11-13-22)9-8-15-4-1-2-6-17(15)20/h1-9H,10-14H2,(H,23,24)
InChIKeyPJAJOBYIDIDVKC-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.34
Rot. Bonds3

About 6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid

6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid (PubChem CID 122558950) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid
PubChem CID122558950
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CCC3(C=Cc4ccccc43)CC2)n1
InChIInChI=1S/C20H20N2O2/c23-19(24)18-7-3-5-16(21-18)14-22-12-10-20(11-13-22)9-8-15-4-1-2-6-17(15)20/h1-9H,10-14H2,(H,23,24)
InChIKeyPJAJOBYIDIDVKC-UHFFFAOYSA-N
XLogP3.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid (CID 122558950) is 6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(CN2CCC3(C=Cc4ccccc43)CC2)n1.
What is the InChIKey of 6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid?
The InChIKey is PJAJOBYIDIDVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(24)18-7-3-5-16(21-18)14-22-12-10-20(11-13-22)9-8-15-4-1-2-6-17(15)20/h1-9H,10-14H2,(H,23,24).
What are the key properties of 6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid?
6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122558950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).