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

C25H30N4O4 — CID 20904843

IUPACN-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCCOc1ccc(N(CC)C(=O)C2CCCN(c3nc(-c4ccc(OC)cc4)no3)C2)cc1
InChIInChI=1S/C25H30N4O4/c1-4-29(20-10-14-22(15-11-20)32-5-2)24(30)19-7-6-16-28(17-19)25-26-23(27-33-25)18-8-12-21(31-3)13-9-18/h8-15,19H,4-7,16-17H2,1-3H3
InChIKeyUXUMDVCYVCGRRM-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.41
Rot. Bonds8

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

N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (PubChem CID 20904843) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
PubChem CID20904843
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCCOc1ccc(N(CC)C(=O)C2CCCN(c3nc(-c4ccc(OC)cc4)no3)C2)cc1
InChIInChI=1S/C25H30N4O4/c1-4-29(20-10-14-22(15-11-20)32-5-2)24(30)19-7-6-16-28(17-19)25-26-23(27-33-25)18-8-12-21(31-3)13-9-18/h8-15,19H,4-7,16-17H2,1-3H3
InChIKeyUXUMDVCYVCGRRM-UHFFFAOYSA-N
XLogP4.41
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904860
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-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519652
N-(3,4-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20873273
[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-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705221
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93077075
(3R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705220

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (CID 20904843) is N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is CCOc1ccc(N(CC)C(=O)C2CCCN(c3nc(-c4ccc(OC)cc4)no3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is UXUMDVCYVCGRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-4-29(20-10-14-22(15-11-20)32-5-2)24(30)19-7-6-16-28(17-19)25-26-23(27-33-25)18-8-12-21(31-3)13-9-18/h8-15,19H,4-7,16-17H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-ethyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 20904843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).