2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

C21H24N4O3 — CID 110247156

IUPAC2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCOc1cccc(CN2CCCCC2c2nnc(-c3ccccn3)o2)c1OC
InChIInChI=1S/C21H24N4O3/c1-26-18-11-7-8-15(19(18)27-2)14-25-13-6-4-10-17(25)21-24-23-20(28-21)16-9-3-5-12-22-16/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3
InChIKeyPPAKQXWNTJMLIV-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.88
Rot. Bonds6

About 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 110247156) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID110247156
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCOc1cccc(CN2CCCCC2c2nnc(-c3ccccn3)o2)c1OC
InChIInChI=1S/C21H24N4O3/c1-26-18-11-7-8-15(19(18)27-2)14-25-13-6-4-10-17(25)21-24-23-20(28-21)16-9-3-5-12-22-16/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3
InChIKeyPPAKQXWNTJMLIV-UHFFFAOYSA-N
XLogP3.88
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110082680
2-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 110243156
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 92558932
1-[(2,3-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)azepane
CID 46952896
2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 125023353
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 124952572
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438
2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole
CID 110217514
2-isoquinolin-1-yl-5-[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole
CID 92576755
2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole
CID 110243137
5-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45219769
1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895888

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 110247156) is 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is COc1cccc(CN2CCCCC2c2nnc(-c3ccccn3)o2)c1OC.
What is the InChIKey of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is PPAKQXWNTJMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-26-18-11-7-8-15(19(18)27-2)14-25-13-6-4-10-17(25)21-24-23-20(28-21)16-9-3-5-12-22-16/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3.
What are the key properties of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 380.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110247156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).