[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

C23H24N4O5 — CID 55426090

IUPAC[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESCOc1cccc(-c2noc(COC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)n2)c1
InChIInChI=1S/C23H24N4O5/c1-30-19-11-5-7-16(13-19)21-25-20(32-26-21)15-31-22(28)17-8-6-12-27(14-17)23(29)24-18-9-3-2-4-10-18/h2-5,7,9-11,13,17H,6,8,12,14-15H2,1H3,(H,24,29)
InChIKeyIYNPCWMEEYIBJG-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.73
Rot. Bonds6

About [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (PubChem CID 55426090) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
PubChem CID55426090
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESCOc1cccc(-c2noc(COC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)n2)c1
InChIInChI=1S/C23H24N4O5/c1-30-19-11-5-7-16(13-19)21-25-20(32-26-21)15-31-22(28)17-8-6-12-27(14-17)23(29)24-18-9-3-2-4-10-18/h2-5,7,9-11,13,17H,6,8,12,14-15H2,1H3,(H,24,29)
InChIKeyIYNPCWMEEYIBJG-UHFFFAOYSA-N
XLogP3.73
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-O-tert-butyl 3-O-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] piperidine-1,3-dicarboxylate
CID 55444505
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55557500
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55534165
(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 47013955
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-3-carboxamide
CID 134011729
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 42918297
(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456069
N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3226032
(3R)-N-(3-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454485
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90641316
N-(3-methoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760777

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (CID 55426090) is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is COc1cccc(-c2noc(COC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)n2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is IYNPCWMEEYIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-30-19-11-5-7-16(13-19)21-25-20(32-26-21)15-31-22(28)17-8-6-12-27(14-17)23(29)24-18-9-3-2-4-10-18/h2-5,7,9-11,13,17H,6,8,12,14-15H2,1H3,(H,24,29).
What are the key properties of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 55426090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).