1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone

C13H21N3O2 — CID 115080074

IUPAC1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(CC2CCN(C(C)C)CC2)no1
InChIInChI=1S/C13H21N3O2/c1-9(2)16-6-4-11(5-7-16)8-12-14-13(10(3)17)18-15-12/h9,11H,4-8H2,1-3H3
InChIKeyORKPJSNNMSBNQL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.94
Rot. Bonds4

About 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone

1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 115080074) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID115080074
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(CC2CCN(C(C)C)CC2)no1
InChIInChI=1S/C13H21N3O2/c1-9(2)16-6-4-11(5-7-16)8-12-14-13(10(3)17)18-15-12/h9,11H,4-8H2,1-3H3
InChIKeyORKPJSNNMSBNQL-UHFFFAOYSA-N
XLogP1.94
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-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

1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077307
1-[3-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080050
2-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077578
1-[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080119
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone
CID 115082455
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080444
1-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 130621937
3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081706
1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081314
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081310
N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081030
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082483

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (CID 115080074) is 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is CC(=O)c1nc(CC2CCN(C(C)C)CC2)no1.
What is the InChIKey of 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is ORKPJSNNMSBNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)16-6-4-11(5-7-16)8-12-14-13(10(3)17)18-15-12/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 251.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 115080074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).