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

C21H24N4O3 — CID 110082680

IUPAC2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCOc1cccc(CN2CCCCC2c2nnc(-c3cccnc3)o2)c1OC
InChIInChI=1S/C21H24N4O3/c1-26-18-10-5-7-16(19(18)27-2)14-25-12-4-3-9-17(25)21-24-23-20(28-21)15-8-6-11-22-13-15/h5-8,10-11,13,17H,3-4,9,12,14H2,1-2H3
InChIKeySXRWKUDNZLPIFQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.88
Rot. Bonds6

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

2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 110082680) 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-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID110082680
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCOc1cccc(CN2CCCCC2c2nnc(-c3cccnc3)o2)c1OC
InChIInChI=1S/C21H24N4O3/c1-26-18-10-5-7-16(19(18)27-2)14-25-12-4-3-9-17(25)21-24-23-20(28-21)15-8-6-11-22-13-15/h5-8,10-11,13,17H,3-4,9,12,14H2,1-2H3
InChIKeySXRWKUDNZLPIFQ-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

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

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Related Compounds

2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 92558932
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110247156
2-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 110243156
4-(2,3-dimethylphenoxy)-1-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110082676
2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 92558930
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
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
CID 95850421
2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 46956786
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438
2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one
CID 136881730
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 110082680) is 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is COc1cccc(CN2CCCCC2c2nnc(-c3cccnc3)o2)c1OC.
What is the InChIKey of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is SXRWKUDNZLPIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-26-18-10-5-7-16(19(18)27-2)14-25-12-4-3-9-17(25)21-24-23-20(28-21)15-8-6-11-22-13-15/h5-8,10-11,13,17H,3-4,9,12,14H2,1-2H3.
What are the key properties of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-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-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110082680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).