ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate

C20H23N3O6 — CID 24793120

IUPACethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C20H23N3O6/c1-2-26-20(25)14-5-3-4-10-23(14)18(24)9-8-17-21-22-19(29-17)13-6-7-15-16(11-13)28-12-27-15/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyYSMFVFZEAADKOS-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.34
Rot. Bonds6

About ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate

ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate (PubChem CID 24793120) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate
PubChem CID24793120
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC Nameethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C20H23N3O6/c1-2-26-20(25)14-5-3-4-10-23(14)18(24)9-8-17-21-22-19(29-17)13-6-7-15-16(11-13)28-12-27-15/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyYSMFVFZEAADKOS-UHFFFAOYSA-N
XLogP2.34
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate 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 ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate (CID 24793120) is ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1.
What is the InChIKey of ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate?
The InChIKey is YSMFVFZEAADKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-2-26-20(25)14-5-3-4-10-23(14)18(24)9-8-17-21-22-19(29-17)13-6-7-15-16(11-13)28-12-27-15/h6-7,11,14H,2-5,8-10,12H2,1H3.
What are the key properties of ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate?
ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 24793120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).