(3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol

C20H22N4O4 — CID 28922082

IUPAC(3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
SMILESCOc1cccc(-c2noc(-c3ccc(N4CCC[C@@H](O)C4)nc3)n2)c1OC
InChIInChI=1S/C20H22N4O4/c1-26-16-7-3-6-15(18(16)27-2)19-22-20(28-23-19)13-8-9-17(21-11-13)24-10-4-5-14(25)12-24/h3,6-9,11,14,25H,4-5,10,12H2,1-2H3/t14-/m1/s1
InChIKeyPZYMTBHUUNYAOR-CQSZACIVSA-N
MW382.42 g/mol
LogP2.78
Rot. Bonds5

About (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol

(3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol (PubChem CID 28922082) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
PubChem CID28922082
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name(3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
SMILESCOc1cccc(-c2noc(-c3ccc(N4CCC[C@@H](O)C4)nc3)n2)c1OC
InChIInChI=1S/C20H22N4O4/c1-26-16-7-3-6-15(18(16)27-2)19-22-20(28-23-19)13-8-9-17(21-11-13)24-10-4-5-14(25)12-24/h3,6-9,11,14,25H,4-5,10,12H2,1-2H3/t14-/m1/s1
InChIKeyPZYMTBHUUNYAOR-CQSZACIVSA-N
XLogP2.78
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 95895530
[(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 25454607
1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 56769856
5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 25279341
5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 51902975
3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46342204
1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine
CID 56769926
3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 45237589
(2R)-2-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 51909704
1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol
CID 45215862
1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 56769930
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol (CID 28922082) is (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol is COc1cccc(-c2noc(-c3ccc(N4CCC[C@@H](O)C4)nc3)n2)c1OC.
What is the InChIKey of (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is PZYMTBHUUNYAOR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-26-16-7-3-6-15(18(16)27-2)19-22-20(28-23-19)13-8-9-17(21-11-13)24-10-4-5-14(25)12-24/h3,6-9,11,14,25H,4-5,10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol?
(3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 382.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 28922082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).