1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C15H25N3O3 — CID 47736883

IUPAC1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCOC1CCCN(C(=O)CCc2nc(C(C)C)no2)C1
InChIInChI=1S/C15H25N3O3/c1-4-20-12-6-5-9-18(10-12)14(19)8-7-13-16-15(11(2)3)17-21-13/h11-12H,4-10H2,1-3H3
InChIKeyOXJJCHNEWXQSSU-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.15
Rot. Bonds6

About 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 47736883) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID47736883
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCOC1CCCN(C(=O)CCc2nc(C(C)C)no2)C1
InChIInChI=1S/C15H25N3O3/c1-4-20-12-6-5-9-18(10-12)14(19)8-7-13-16-15(11(2)3)17-21-13/h11-12H,4-10H2,1-3H3
InChIKeyOXJJCHNEWXQSSU-UHFFFAOYSA-N
XLogP2.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 47736883) is 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CCOC1CCCN(C(=O)CCc2nc(C(C)C)no2)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is OXJJCHNEWXQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-20-12-6-5-9-18(10-12)14(19)8-7-13-16-15(11(2)3)17-21-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 295.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 47736883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).