1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid

C21H21N3O2 — CID 3667870

IUPAC1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccccn2)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H21N3O2/c25-21(26)16-10-13-24(14-11-16)20(18-7-3-4-12-22-18)19-9-8-15-5-1-2-6-17(15)23-19/h1-9,12,16,20H,10-11,13-14H2,(H,25,26)
InChIKeyUCTWSWBGYDDRAE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.52
Rot. Bonds4

About 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid

1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 3667870) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID3667870
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccccn2)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H21N3O2/c25-21(26)16-10-13-24(14-11-16)20(18-7-3-4-12-22-18)19-9-8-15-5-1-2-6-17(15)23-19/h1-9,12,16,20H,10-11,13-14H2,(H,25,26)
InChIKeyUCTWSWBGYDDRAE-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
CID 3875881
1-[quinolin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3681831
1-[quinolin-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3995629
1-[(2,6-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
CID 3948201
1-[(5-methyl-2-pyridinyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5157060
1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
CID 3949062
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
CID 3953500
1-[(3,4-dichlorophenyl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3915876
1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5031418

Frequently Asked Questions

What is the IUPAC name of 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid (CID 3667870) is 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(c2ccccn2)c2ccc3ccccc3n2)CC1.
What is the InChIKey of 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is UCTWSWBGYDDRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(26)16-10-13-24(14-11-16)20(18-7-3-4-12-22-18)19-9-8-15-5-1-2-6-17(15)23-19/h1-9,12,16,20H,10-11,13-14H2,(H,25,26).
What are the key properties of 1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid?
1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 3.52, 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-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3667870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).