3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde

C19H25N3O4 — CID 87577351

IUPAC3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
SMILESCCc1ccc(C2CC(c3nc(OCCOC)no3)CN(C=O)C2)cc1
InChIInChI=1S/C19H25N3O4/c1-3-14-4-6-15(7-5-14)16-10-17(12-22(11-16)13-23)18-20-19(21-26-18)25-9-8-24-2/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyKLEUBOHKLPHABX-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.39
Rot. Bonds8

About 3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde

3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde (PubChem CID 87577351) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
PubChem CID87577351
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
SMILESCCc1ccc(C2CC(c3nc(OCCOC)no3)CN(C=O)C2)cc1
InChIInChI=1S/C19H25N3O4/c1-3-14-4-6-15(7-5-14)16-10-17(12-22(11-16)13-23)18-20-19(21-26-18)25-9-8-24-2/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyKLEUBOHKLPHABX-UHFFFAOYSA-N
XLogP2.39
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 58116520
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
CID 58116477
[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 58116470
(1,1-dihydroxy-1,4-thiazinan-4-yl)-[3-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
CID 66890134
[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002312
3-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 173108829
3-[4-(2,2-difluoroethyl)phenyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 123848208
[(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 42629041
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 58116471
[3-(4-ethylphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl] N-ethyl-N-methylcarbamate
CID 67084285
[3-[4-(2,2-difluoroethyl)phenyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone
CID 68774356
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002375

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?
The IUPAC name of 3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde (CID 87577351) is 3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde.
What is the SMILES notation for 3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?
The canonical SMILES for 3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde is CCc1ccc(C2CC(c3nc(OCCOC)no3)CN(C=O)C2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?
The InChIKey is KLEUBOHKLPHABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-14-4-6-15(7-5-14)16-10-17(12-22(11-16)13-23)18-20-19(21-26-18)25-9-8-24-2/h4-7,13,16-17H,3,8-12H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?
3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde has a molecular weight of 359.43 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 87577351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).