3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one

C21H22N4O2 — CID 92574587

IUPAC3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1
InChIInChI=1S/C21H22N4O2/c26-19(12-11-16-7-2-1-3-8-16)25-14-6-9-17(15-25)20-23-24-21(27-20)18-10-4-5-13-22-18/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2/t17-/m1/s1
InChIKeyVVBJVWMEGWUGSO-QGZVFWFLSA-N
MW362.43 g/mol
LogP3.47
Rot. Bonds5

About 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one

3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 92574587) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID92574587
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1
InChIInChI=1S/C21H22N4O2/c26-19(12-11-16-7-2-1-3-8-16)25-14-6-9-17(15-25)20-23-24-21(27-20)18-10-4-5-13-22-18/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2/t17-/m1/s1
InChIKeyVVBJVWMEGWUGSO-QGZVFWFLSA-N
XLogP3.47
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110235628
2-(3,4-dimethoxyphenyl)-1-[(3S)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 95849787
2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 95849799
1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963593
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
2-phenoxy-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 30863595
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121069477
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one
CID 45222622
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (CID 92574587) is 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1.
What is the InChIKey of 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is VVBJVWMEGWUGSO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-19(12-11-16-7-2-1-3-8-16)25-14-6-9-17(15-25)20-23-24-21(27-20)18-10-4-5-13-22-18/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2/t17-/m1/s1.
What are the key properties of 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 362.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92574587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).