2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

C14H23N3O3 — CID 75520623

IUPAC2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCCC(C3(C)OCCO3)C2)o1
InChIInChI=1S/C14H23N3O3/c1-3-12-15-16-13(20-12)10-17-6-4-5-11(9-17)14(2)18-7-8-19-14/h11H,3-10H2,1-2H3
InChIKeySNJGMSXTOBRSIC-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.61
Rot. Bonds4

About 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 75520623) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID75520623
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCCC(C3(C)OCCO3)C2)o1
InChIInChI=1S/C14H23N3O3/c1-3-12-15-16-13(20-12)10-17-6-4-5-11(9-17)14(2)18-7-8-19-14/h11H,3-10H2,1-2H3
InChIKeySNJGMSXTOBRSIC-UHFFFAOYSA-N
XLogP1.61
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole 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 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 75520623) is 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CCCC(C3(C)OCCO3)C2)o1.
What is the InChIKey of 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is SNJGMSXTOBRSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-12-15-16-13(20-12)10-17-6-4-5-11(9-17)14(2)18-7-8-19-14/h11H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 281.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 75520623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).