3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide

C18H23N5O3 — CID 70785790

IUPAC3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCCc2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C18H23N5O3/c19-18(25)23-10-4-7-14(12-23)17(24)20-9-8-16-21-15(22-26-16)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,19,25)(H,20,24)
InChIKeyIVMSHYIFYMXBSM-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.11
Rot. Bonds6

About 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide

3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 70785790) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
PubChem CID70785790
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCCc2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C18H23N5O3/c19-18(25)23-10-4-7-14(12-23)17(24)20-9-8-16-21-15(22-26-16)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,19,25)(H,20,24)
InChIKeyIVMSHYIFYMXBSM-UHFFFAOYSA-N
XLogP1.11
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide 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 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide (CID 70785790) is 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCCC(C(=O)NCCc2nc(Cc3ccccc3)no2)C1.
What is the InChIKey of 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is IVMSHYIFYMXBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-18(25)23-10-4-7-14(12-23)17(24)20-9-8-16-21-15(22-26-16)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,19,25)(H,20,24).
What are the key properties of 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide?
3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 70785790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).