2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one

C20H20N4O4 — CID 68688527

IUPAC2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one
SMILESO=C(COc1ccccc1)N1CCCCC1c1noc(-c2cc(=O)cc[nH]2)n1
InChIInChI=1S/C20H20N4O4/c25-14-9-10-21-16(12-14)20-22-19(23-28-20)17-8-4-5-11-24(17)18(26)13-27-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H,21,25)
InChIKeyZMXTVLJXSOXVPC-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.56
Rot. Bonds5

About 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one

2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one (PubChem CID 68688527) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one
PubChem CID68688527
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one
SMILESO=C(COc1ccccc1)N1CCCCC1c1noc(-c2cc(=O)cc[nH]2)n1
InChIInChI=1S/C20H20N4O4/c25-14-9-10-21-16(12-14)20-22-19(23-28-20)17-8-4-5-11-24(17)18(26)13-27-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H,21,25)
InChIKeyZMXTVLJXSOXVPC-UHFFFAOYSA-N
XLogP2.56
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one with MolForge

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Related Compounds

3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
CID 68687363
1-[2-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687337
5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 68686393
2-(2-methoxy-4-methylphenoxy)-1-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 99782210
3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 97011603
1-[2-(1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenoxyethanone
CID 141173736
1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
2-(2-fluorophenoxy)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 97345444
2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone
CID 118738119
1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 97345599
N,N-diethyl-3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68688139
1-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]piperidin-2-one
CID 68687593

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one?
The IUPAC name of 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one (CID 68688527) is 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one is O=C(COc1ccccc1)N1CCCCC1c1noc(-c2cc(=O)cc[nH]2)n1.
What is the InChIKey of 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one?
The InChIKey is ZMXTVLJXSOXVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-14-9-10-21-16(12-14)20-22-19(23-28-20)17-8-4-5-11-24(17)18(26)13-27-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H,21,25).
What are the key properties of 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one?
2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one has a molecular weight of 380.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one is sourced from PubChem (CID 68688527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).