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

C24H28N4O4 — CID 38148418

IUPACN-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C24H28N4O4/c1-3-31-21-7-5-4-6-20(21)25-24(29)18-12-14-28(15-13-18)16-22-26-23(27-32-22)17-8-10-19(30-2)11-9-17/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)
InChIKeyYYJZANAVXOQMOU-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.99
Rot. Bonds8

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

N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 38148418) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID38148418
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C24H28N4O4/c1-3-31-21-7-5-4-6-20(21)25-24(29)18-12-14-28(15-13-18)16-22-26-23(27-32-22)17-8-10-19(30-2)11-9-17/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)
InChIKeyYYJZANAVXOQMOU-UHFFFAOYSA-N
XLogP3.99
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 38148941
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 20922898
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927635
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542228
methyl 4,5-dimethoxy-2-[[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
CID 38149060
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 43927418
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38148796
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38150116
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922851
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43930915
N-(2,4-dichlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38149119
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43927583

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 38148418) is N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is CCOc1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is YYJZANAVXOQMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-3-31-21-7-5-4-6-20(21)25-24(29)18-12-14-28(15-13-18)16-22-26-23(27-32-22)17-8-10-19(30-2)11-9-17/h4-11,18H,3,12-16H2,1-2H3,(H,25,29).
What are the key properties of N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38148418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).