2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole

C14H17N3O2 — CID 22308679

IUPAC2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C3CCNCC3)o2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-12-4-2-10(3-5-12)13-16-17-14(19-13)11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3
InChIKeyLMBUXXPVWDFKQK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.21
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole (PubChem CID 22308679) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
PubChem CID22308679
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C3CCNCC3)o2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-12-4-2-10(3-5-12)13-16-17-14(19-13)11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3
InChIKeyLMBUXXPVWDFKQK-UHFFFAOYSA-N
XLogP2.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308678
2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 39359301
methyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 22077371
5-(4-methoxyphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015385
2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 126456821
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99963493
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963379
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole
CID 59486762
2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 90043662
2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137795
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963903
cyclopropyl-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99964099

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole (CID 22308679) is 2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole is COc1ccc(-c2nnc(C3CCNCC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
The InChIKey is LMBUXXPVWDFKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-12-4-2-10(3-5-12)13-16-17-14(19-13)11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 22308679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).