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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Related Compounds

6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid
CID 166147362
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
1'-(2-pyridin-4-ylethyl)spiro[indene-1,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 171321288
1'-phenylspiro[indene-1,4'-piperidine]
CID 140556311
6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridine-2-carboxylic acid
CID 106904161
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one
CID 40515201
1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 30979223

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).