1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid

C20H20N4O4 — CID 56770201

IUPAC1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(-c2noc(-c3ccnc(N4CCCC(C(=O)O)C4)c3)n2)cc1
InChIInChI=1S/C20H20N4O4/c1-27-16-6-4-13(5-7-16)18-22-19(28-23-18)14-8-9-21-17(11-14)24-10-2-3-15(12-24)20(25)26/h4-9,11,15H,2-3,10,12H2,1H3,(H,25,26)
InChIKeyHADBEFVCPQZVQH-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.11
Rot. Bonds5

About 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid

1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 56770201) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
PubChem CID56770201
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(-c2noc(-c3ccnc(N4CCCC(C(=O)O)C4)c3)n2)cc1
InChIInChI=1S/C20H20N4O4/c1-27-16-6-4-13(5-7-16)18-22-19(28-23-18)14-8-9-21-17(11-14)24-10-2-3-15(12-24)20(25)26/h4-9,11,15H,2-3,10,12H2,1H3,(H,25,26)
InChIKeyHADBEFVCPQZVQH-UHFFFAOYSA-N
XLogP3.11
TPSA101.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770155
1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770146
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine
CID 56770198
1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 56771463
ethyl (3R)-1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-3-carboxylate
CID 95064447
1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770168
N-(3,5-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 133362349
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
(3S)-1-[6-(4-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975929
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 20904897

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid (CID 56770201) is 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid is COc1ccc(-c2noc(-c3ccnc(N4CCCC(C(=O)O)C4)c3)n2)cc1.
What is the InChIKey of 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is HADBEFVCPQZVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-27-16-6-4-13(5-7-16)18-22-19(28-23-18)14-8-9-21-17(11-14)24-10-2-3-15(12-24)20(25)26/h4-9,11,15H,2-3,10,12H2,1H3,(H,25,26).
What are the key properties of 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid?
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56770201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).