1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone

C9H13N3O2 — CID 116808785

IUPAC1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
SMILESCC(=O)c1nc(N2CCCCC2)no1
InChIInChI=1S/C9H13N3O2/c1-7(13)8-10-9(11-14-8)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyWASLGIJUSUKMSD-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.26
Rot. Bonds2

About 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone

1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone (PubChem CID 116808785) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
PubChem CID116808785
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
SMILESCC(=O)c1nc(N2CCCCC2)no1
InChIInChI=1S/C9H13N3O2/c1-7(13)8-10-9(11-14-8)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyWASLGIJUSUKMSD-UHFFFAOYSA-N
XLogP1.26
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone 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

4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116808837
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 166266662
acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151189
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 116808746
1-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 130621937
methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 116808572
2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 116808513
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 103552158
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116808997
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 116808522
2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 106483235

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone?
The IUPAC name of 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone (CID 116808785) is 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone is CC(=O)c1nc(N2CCCCC2)no1.
What is the InChIKey of 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone?
The InChIKey is WASLGIJUSUKMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7(13)8-10-9(11-14-8)12-5-3-2-4-6-12/h2-6H2,1H3.
What are the key properties of 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone?
1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone has a molecular weight of 195.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone is sourced from PubChem (CID 116808785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).