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

C25H30N4O4 — CID 22519652

IUPACN-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2CCN(c3nc(-c4ccc(OC)cc4)no3)CC2)cc1
InChIInChI=1S/C25H30N4O4/c1-3-32-22-8-4-18(5-9-22)12-15-26-24(30)20-13-16-29(17-14-20)25-27-23(28-33-25)19-6-10-21(31-2)11-7-19/h4-11,20H,3,12-17H2,1-2H3,(H,26,30)
InChIKeyRQEBXUQWRSCPCE-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.72
Rot. Bonds9

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

N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 22519652) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
PubChem CID22519652
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2CCN(c3nc(-c4ccc(OC)cc4)no3)CC2)cc1
InChIInChI=1S/C25H30N4O4/c1-3-32-22-8-4-18(5-9-22)12-15-26-24(30)20-13-16-29(17-14-20)25-27-23(28-33-25)19-6-10-21(31-2)11-7-19/h4-11,20H,3,12-17H2,1-2H3,(H,26,30)
InChIKeyRQEBXUQWRSCPCE-UHFFFAOYSA-N
XLogP3.72
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519609
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46358412
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 38149233
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22519605
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-ethoxyphenyl)propyl]piperidine-4-carboxamide
CID 38158370
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358353
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 38147816
N-(3,5-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519659
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 11036347
N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 53023440

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (CID 22519652) is N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is CCOc1ccc(CCNC(=O)C2CCN(c3nc(-c4ccc(OC)cc4)no3)CC2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is RQEBXUQWRSCPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-3-32-22-8-4-18(5-9-22)12-15-26-24(30)20-13-16-29(17-14-20)25-27-23(28-33-25)19-6-10-21(31-2)11-7-19/h4-11,20H,3,12-17H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 22519652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).