1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

C18H23N3O3 — CID 99963379

IUPAC1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nnc(-c3ccc(OC)cc3)o2)CC1
InChIInChI=1S/C18H23N3O3/c1-3-4-16(22)21-11-9-14(10-12-21)18-20-19-17(24-18)13-5-7-15(23-2)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyPRELLOOTXFXOBO-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.25
Rot. Bonds5

About 1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 99963379) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
PubChem CID99963379
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nnc(-c3ccc(OC)cc3)o2)CC1
InChIInChI=1S/C18H23N3O3/c1-3-4-16(22)21-11-9-14(10-12-21)18-20-19-17(24-18)13-5-7-15(23-2)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyPRELLOOTXFXOBO-UHFFFAOYSA-N
XLogP3.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99963493
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963903
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963272
cyclopropyl-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99964099
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99964095
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 90543078
2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137795
1-[4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 159726527
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92610969
2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 126456821

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (CID 99963379) is 1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2nnc(-c3ccc(OC)cc3)o2)CC1.
What is the InChIKey of 1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The InChIKey is PRELLOOTXFXOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-4-16(22)21-11-9-14(10-12-21)18-20-19-17(24-18)13-5-7-15(23-2)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 329.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 99963379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).