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

C23H26N4O4 — CID 42761024

IUPACN-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(c2nc(-c3cccc(OC)c3)no2)CC1
InChIInChI=1S/C23H26N4O4/c1-3-30-20-10-5-4-9-19(20)24-23(28)27-13-11-16(12-14-27)22-25-21(26-31-22)17-7-6-8-18(15-17)29-2/h4-10,15-16H,3,11-14H2,1-2H3,(H,24,28)
InChIKeyKELIQKZATISEAZ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.56
Rot. Bonds6

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

N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 42761024) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID42761024
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(c2nc(-c3cccc(OC)c3)no2)CC1
InChIInChI=1S/C23H26N4O4/c1-3-30-20-10-5-4-9-19(20)24-23(28)27-13-11-16(12-14-27)22-25-21(26-31-22)17-7-6-8-18(15-17)29-2/h4-10,15-16H,3,11-14H2,1-2H3,(H,24,28)
InChIKeyKELIQKZATISEAZ-UHFFFAOYSA-N
XLogP4.56
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2,6-dimethoxyphenyl)-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4318183
N-(3-chloro-4-methylphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5161033
cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812728
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
1-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]decan-1-one
CID 3309254
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3989669
N-cyclopentyl-2-[(3S)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
CID 125001869
N-(2-ethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097328
N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 24731289
(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456069
N-(3-methoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760777
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 42761024) is N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(c2nc(-c3cccc(OC)c3)no2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is KELIQKZATISEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-30-20-10-5-4-9-19(20)24-23(28)27-13-11-16(12-14-27)22-25-21(26-31-22)17-7-6-8-18(15-17)29-2/h4-10,15-16H,3,11-14H2,1-2H3,(H,24,28).
What are the key properties of N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 42761024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).