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

C21H20F2N4O3 — CID 22519639

IUPACN-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)Nc4cc(F)ccc4F)CC3)n2)cc1
InChIInChI=1S/C21H20F2N4O3/c1-29-16-5-2-13(3-6-16)19-25-21(30-26-19)27-10-8-14(9-11-27)20(28)24-18-12-15(22)4-7-17(18)23/h2-7,12,14H,8-11H2,1H3,(H,24,28)
InChIKeyLBJKSHNAVOQQHN-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-4-carboxamide

N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 22519639) 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-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
PubChem CID22519639
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-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)Nc4cc(F)ccc4F)CC3)n2)cc1
InChIInChI=1S/C21H20F2N4O3/c1-29-16-5-2-13(3-6-16)19-25-21(30-26-19)27-10-8-14(9-11-27)20(28)24-18-12-15(22)4-7-17(18)23/h2-7,12,14H,8-11H2,1H3,(H,24,28)
InChIKeyLBJKSHNAVOQQHN-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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Related Compounds

N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
N-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519629
N-(3,5-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519659
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 22519570
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519609
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 22581243
N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367933
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-4-carboxamide
CID 22334890
[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 22519568

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (CID 22519639) is N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is COc1ccc(-c2noc(N3CCC(C(=O)Nc4cc(F)ccc4F)CC3)n2)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is LBJKSHNAVOQQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c1-29-16-5-2-13(3-6-16)19-25-21(30-26-19)27-10-8-14(9-11-27)20(28)24-18-12-15(22)4-7-17(18)23/h2-7,12,14H,8-11H2,1H3,(H,24,28).
What are the key properties of N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 22519639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).