6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one

C12H14N4O2 — CID 114040481

IUPAC6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2nc(C3CCCNC3)no2)[nH]1
InChIInChI=1S/C12H14N4O2/c17-10-5-1-4-9(14-10)12-15-11(16-18-12)8-3-2-6-13-7-8/h1,4-5,8,13H,2-3,6-7H2,(H,14,17)
InChIKeyQXDYHLAZAZSSRI-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.89
Rot. Bonds2

About 6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one

6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one (PubChem CID 114040481) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
PubChem CID114040481
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2nc(C3CCCNC3)no2)[nH]1
InChIInChI=1S/C12H14N4O2/c17-10-5-1-4-9(14-10)12-15-11(16-18-12)8-3-2-6-13-7-8/h1,4-5,8,13H,2-3,6-7H2,(H,14,17)
InChIKeyQXDYHLAZAZSSRI-UHFFFAOYSA-N
XLogP0.89
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 68962118
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one
CID 167832242
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025950
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578

Frequently Asked Questions

What is the IUPAC name of 6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one (CID 114040481) is 6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one is O=c1cccc(-c2nc(C3CCCNC3)no2)[nH]1.
What is the InChIKey of 6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is QXDYHLAZAZSSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-10-5-1-4-9(14-10)12-15-11(16-18-12)8-3-2-6-13-7-8/h1,4-5,8,13H,2-3,6-7H2,(H,14,17).
What are the key properties of 6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 246.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 114040481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).