1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide

C15H15N5O2 — CID 175941811

IUPAC1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESN#Cc1ccc(-c2noc(N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C15H15N5O2/c16-9-10-1-3-12(4-2-10)14-18-15(22-19-14)20-7-5-11(6-8-20)13(17)21/h1-4,11H,5-8H2,(H2,17,21)
InChIKeyMGLUGXBWTRZXOA-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.31
Rot. Bonds3

About 1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide

1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 175941811) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
PubChem CID175941811
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESN#Cc1ccc(-c2noc(N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C15H15N5O2/c16-9-10-1-3-12(4-2-10)14-18-15(22-19-14)20-7-5-11(6-8-20)13(17)21/h1-4,11H,5-8H2,(H2,17,21)
InChIKeyMGLUGXBWTRZXOA-UHFFFAOYSA-N
XLogP1.31
TPSA109.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (CID 175941811) is 1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is N#Cc1ccc(-c2noc(N3CCC(C(N)=O)CC3)n2)cc1.
What is the InChIKey of 1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is MGLUGXBWTRZXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-9-10-1-3-12(4-2-10)14-18-15(22-19-14)20-7-5-11(6-8-20)13(17)21/h1-4,11H,5-8H2,(H2,17,21).
What are the key properties of 1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 175941811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).