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

C24H28N4O4 — CID 20904860

IUPACN-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1ccc(OC)cc1
InChIInChI=1S/C24H28N4O4/c1-4-28(19-9-13-21(31-3)14-10-19)23(29)18-6-5-15-27(16-18)24-25-22(26-32-24)17-7-11-20(30-2)12-8-17/h7-14,18H,4-6,15-16H2,1-3H3
InChIKeyXGRJUASBPUPKQV-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.02
Rot. Bonds7

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

N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (PubChem CID 20904860) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
PubChem CID20904860
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1ccc(OC)cc1
InChIInChI=1S/C24H28N4O4/c1-4-28(19-9-13-21(31-3)14-10-19)23(29)18-6-5-15-27(16-18)24-25-22(26-32-24)17-7-11-20(30-2)12-8-17/h7-14,18H,4-6,15-16H2,1-3H3
InChIKeyXGRJUASBPUPKQV-UHFFFAOYSA-N
XLogP4.02
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904843
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 20904857
N-[(2-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904891
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 20904897
(3S)-N,N-diethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 42245790
N-(3,4-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20873273
(3R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705220
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705221
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methanone
CID 20904801
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93077075
N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904896

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (CID 20904860) is N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is CCN(C(=O)C1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is XGRJUASBPUPKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-4-28(19-9-13-21(31-3)14-10-19)23(29)18-6-5-15-27(16-18)24-25-22(26-32-24)17-7-11-20(30-2)12-8-17/h7-14,18H,4-6,15-16H2,1-3H3.
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 20904860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).