3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C19H20N4O3 — CID 177365363

IUPAC3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(OC3CCN(Cc4ccccc4)CC3)cn2)no1
InChIInChI=1S/C19H20N4O3/c24-19-21-18(22-26-19)17-7-6-16(12-20-17)25-15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,21,22,24)
InChIKeyXNOHIKDZBJBZES-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.47
Rot. Bonds5

About 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 177365363) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID177365363
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(OC3CCN(Cc4ccccc4)CC3)cn2)no1
InChIInChI=1S/C19H20N4O3/c24-19-21-18(22-26-19)17-7-6-16(12-20-17)25-15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,21,22,24)
InChIKeyXNOHIKDZBJBZES-UHFFFAOYSA-N
XLogP2.47
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365498
3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365440
3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365359
3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365487
3-[5-(4-piperazin-1-ylbutoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365390
3-[5-[[(3R)-1-ethylpiperidin-3-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365431
(1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone
CID 159937564
5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine
CID 138042107
1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
CID 174434003
3-[3-(piperidin-1-ylmethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 146087791
3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one
CID 166355842
N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 143807389

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 177365363) is 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2ccc(OC3CCN(Cc4ccccc4)CC3)cn2)no1.
What is the InChIKey of 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is XNOHIKDZBJBZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19-21-18(22-26-19)17-7-6-16(12-20-17)25-15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,21,22,24).
What are the key properties of 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 352.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 177365363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).