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

C31H33N5O4 — CID 43927583

IUPAC1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NC(C)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C31H33N5O4/c1-21(22-8-4-3-5-9-22)32-31(38)26-10-6-7-11-27(26)33-30(37)24-16-18-36(19-17-24)20-28-34-29(35-40-28)23-12-14-25(39-2)15-13-23/h3-15,21,24H,16-20H2,1-2H3,(H,32,38)(H,33,37)
InChIKeyFXBFCYXKPFLUCP-UHFFFAOYSA-N
MW539.64 g/mol
LogP5.09
Rot. Bonds9

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

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 43927583) has the molecular formula C31H33N5O4 and a molecular weight of 539.64 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID43927583
Molecular FormulaC31H33N5O4
Molecular Weight539.64 g/mol
Exact Mass539.25
IUPAC Name1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NC(C)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C31H33N5O4/c1-21(22-8-4-3-5-9-22)32-31(38)26-10-6-7-11-27(26)33-30(37)24-16-18-36(19-17-24)20-28-34-29(35-40-28)23-12-14-25(39-2)15-13-23/h3-15,21,24H,16-20H2,1-2H3,(H,32,38)(H,33,37)
InChIKeyFXBFCYXKPFLUCP-UHFFFAOYSA-N
XLogP5.09
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43927396
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38148796
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43926695
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148811
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 38148941
N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148418
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115317
methyl 2-[[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
CID 38147291
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38144186
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38142223
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542228

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 43927583) is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide is COc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NC(C)c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is FXBFCYXKPFLUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O4/c1-21(22-8-4-3-5-9-22)32-31(38)26-10-6-7-11-27(26)33-30(37)24-16-18-36(19-17-24)20-28-34-29(35-40-28)23-12-14-25(39-2)15-13-23/h3-15,21,24H,16-20H2,1-2H3,(H,32,38)(H,33,37).
What are the key properties of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 539.64 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43927583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).