3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one

C9H14N4O2 — CID 107911556

IUPAC3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one
SMILESCc1nc(CNC2CCCNC2=O)no1
InChIInChI=1S/C9H14N4O2/c1-6-12-8(13-15-6)5-11-7-3-2-4-10-9(7)14/h7,11H,2-5H2,1H3,(H,10,14)
InChIKeyYBIJERKWYRJAND-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.25
Rot. Bonds3

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

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one (PubChem CID 107911556) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one
PubChem CID107911556
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one
SMILESCc1nc(CNC2CCCNC2=O)no1
InChIInChI=1S/C9H14N4O2/c1-6-12-8(13-15-6)5-11-7-3-2-4-10-9(7)14/h7,11H,2-5H2,1H3,(H,10,14)
InChIKeyYBIJERKWYRJAND-UHFFFAOYSA-N
XLogP-0.25
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 94363987
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 94363988
3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
CID 55033629
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127
3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one
CID 112699998
3-[(1,5-dimethylpyrazol-4-yl)methylamino]azepan-2-one
CID 79578454
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 113252158
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093209
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 106391848
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
(3S)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]azepan-2-one
CID 129379257
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107911419

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one (CID 107911556) is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one is Cc1nc(CNC2CCCNC2=O)no1.
What is the InChIKey of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one?
The InChIKey is YBIJERKWYRJAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-12-8(13-15-6)5-11-7-3-2-4-10-9(7)14/h7,11H,2-5H2,1H3,(H,10,14).
What are the key properties of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one?
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 107911556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).