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

C22H24N4O3 — CID 46257727

IUPAC1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(C)cc4)CC3)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-3-7-18(8-4-15)23-21(27)17-11-13-26(14-12-17)22-24-20(25-29-22)16-5-9-19(28-2)10-6-16/h3-10,17H,11-14H2,1-2H3,(H,23,27)
InChIKeyVRWRGBTVMAMGGJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.91
Rot. Bonds5

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

1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 46257727) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID46257727
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(C)cc4)CC3)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-3-7-18(8-4-15)23-21(27)17-11-13-26(14-12-17)22-24-20(25-29-22)16-5-9-19(28-2)10-6-16/h3-10,17H,11-14H2,1-2H3,(H,23,27)
InChIKeyVRWRGBTVMAMGGJ-UHFFFAOYSA-N
XLogP3.91
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-propan-2-ylphenyl)piperidine-4-carboxamide
CID 22519570
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
N-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519629
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-4-carboxamide
CID 22334890
N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519639
N-(3,4-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20873273
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 22581243
[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 22519568
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-(4-methylbenzoyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 175941778

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide (CID 46257727) is 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide is COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(C)cc4)CC3)n2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is VRWRGBTVMAMGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-3-7-18(8-4-15)23-21(27)17-11-13-26(14-12-17)22-24-20(25-29-22)16-5-9-19(28-2)10-6-16/h3-10,17H,11-14H2,1-2H3,(H,23,27).
What are the key properties of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide?
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46257727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).