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

C20H22N4O2 — CID 110243034

IUPAC2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCOc1cccc(CN2CCCC(c3nnc(-c4cccnc4)o3)C2)c1
InChIInChI=1S/C20H22N4O2/c1-25-18-8-2-5-15(11-18)13-24-10-4-7-17(14-24)20-23-22-19(26-20)16-6-3-9-21-12-16/h2-3,5-6,8-9,11-12,17H,4,7,10,13-14H2,1H3
InChIKeyBIYHTYDJFVMFGF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.52
Rot. Bonds5

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

2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 110243034) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID110243034
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCOc1cccc(CN2CCCC(c3nnc(-c4cccnc4)o3)C2)c1
InChIInChI=1S/C20H22N4O2/c1-25-18-8-2-5-15(11-18)13-24-10-4-7-17(14-24)20-23-22-19(26-20)16-6-3-9-21-12-16/h2-3,5-6,8-9,11-12,17H,4,7,10,13-14H2,1H3
InChIKeyBIYHTYDJFVMFGF-UHFFFAOYSA-N
XLogP3.52
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 51137330
2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 95849758
N,N-dimethyl-4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CID 75615327
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 92558930
1-[(3R)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 99963843
2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 110236053
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
2-(4-chlorophenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137247
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-(3-methoxyphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110652797
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569569

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 110243034) is 2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is COc1cccc(CN2CCCC(c3nnc(-c4cccnc4)o3)C2)c1.
What is the InChIKey of 2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is BIYHTYDJFVMFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-18-8-2-5-15(11-18)13-24-10-4-7-17(14-24)20-23-22-19(26-20)16-6-3-9-21-12-16/h2-3,5-6,8-9,11-12,17H,4,7,10,13-14H2,1H3.
What are the key properties of 2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 350.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110243034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).