1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid

C21H21N3O2 — CID 3968160

IUPAC1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cnc2ccccc2c1)c1ccccn1
InChIInChI=1S/C21H21N3O2/c25-21(26)19-10-4-6-12-24(19)20(18-9-3-5-11-22-18)16-13-15-7-1-2-8-17(15)23-14-16/h1-3,5,7-9,11,13-14,19-20H,4,6,10,12H2,(H,25,26)
InChIKeyLUORTROOXMNTEO-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.66
Rot. Bonds4

About 1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid

1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 3968160) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
PubChem CID3968160
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cnc2ccccc2c1)c1ccccn1
InChIInChI=1S/C21H21N3O2/c25-21(26)19-10-4-6-12-24(19)20(18-9-3-5-11-22-18)16-13-15-7-1-2-8-17(15)23-14-16/h1-3,5,7-9,11,13-14,19-20H,4,6,10,12H2,(H,25,26)
InChIKeyLUORTROOXMNTEO-UHFFFAOYSA-N
XLogP3.66
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5125163
1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3926082
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
1-[quinolin-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3309289
1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3945509
1-[(3-fluorophenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3886985
1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3908293
1-[(2,5-dimethoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5004191
1-[(3-methylthiophen-2-yl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4316503
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3468242
1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5033531

Frequently Asked Questions

What is the IUPAC name of 1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid (CID 3968160) is 1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1cnc2ccccc2c1)c1ccccn1.
What is the InChIKey of 1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is LUORTROOXMNTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(26)19-10-4-6-12-24(19)20(18-9-3-5-11-22-18)16-13-15-7-1-2-8-17(15)23-14-16/h1-3,5,7-9,11,13-14,19-20H,4,6,10,12H2,(H,25,26).
What are the key properties of 1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid?
1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3968160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).