N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide

C21H20F2N4O3 — CID 20904899

IUPACN-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)Nc4cc(F)ccc4F)C3)n2)cc1
InChIInChI=1S/C21H20F2N4O3/c1-29-16-7-4-13(5-8-16)19-25-21(30-26-19)27-10-2-3-14(12-27)20(28)24-18-11-15(22)6-9-17(18)23/h4-9,11,14H,2-3,10,12H2,1H3,(H,24,28)
InChIKeyACWXZKJNCGQNCY-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.88
Rot. Bonds5

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

N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (PubChem CID 20904899) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
PubChem CID20904899
Molecular FormulaC21H20F2N4O3
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC NameN-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)Nc4cc(F)ccc4F)C3)n2)cc1
InChIInChI=1S/C21H20F2N4O3/c1-29-16-7-4-13(5-8-16)19-25-21(30-26-19)27-10-2-3-14(12-27)20(28)24-18-11-15(22)6-9-17(18)23/h4-9,11,14H,2-3,10,12H2,1H3,(H,24,28)
InChIKeyACWXZKJNCGQNCY-UHFFFAOYSA-N
XLogP3.88
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (CID 20904899) is N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is COc1ccc(-c2noc(N3CCCC(C(=O)Nc4cc(F)ccc4F)C3)n2)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is ACWXZKJNCGQNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c1-29-16-7-4-13(5-8-16)19-25-21(30-26-19)27-10-2-3-14(12-27)20(28)24-18-11-15(22)6-9-17(18)23/h4-9,11,14H,2-3,10,12H2,1H3,(H,24,28).
What are the key properties of N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 414.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 20904899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).