[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone

C22H30N4O4S — CID 58116470

IUPAC[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCCOc1noc(C2CC(c3ccc(CC)cc3)CN(C(=O)N3CCS(=O)CC3)C2)n1
InChIInChI=1S/C22H30N4O4S/c1-3-16-5-7-17(8-6-16)18-13-19(20-23-21(24-30-20)29-4-2)15-26(14-18)22(27)25-9-11-31(28)12-10-25/h5-8,18-19H,3-4,9-15H2,1-2H3
InChIKeyWGPDZWNSRUVUEP-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.79
Rot. Bonds5

About [3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone

[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 58116470) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is [3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID58116470
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCCOc1noc(C2CC(c3ccc(CC)cc3)CN(C(=O)N3CCS(=O)CC3)C2)n1
InChIInChI=1S/C22H30N4O4S/c1-3-16-5-7-17(8-6-16)18-13-19(20-23-21(24-30-20)29-4-2)15-26(14-18)22(27)25-9-11-31(28)12-10-25/h5-8,18-19H,3-4,9-15H2,1-2H3
InChIKeyWGPDZWNSRUVUEP-UHFFFAOYSA-N
XLogP2.79
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone 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

[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-ethoxy-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 58116471
[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002312
(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-ethoxy-5-[5-(4-ethylphenyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 173108829
[(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-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
CID 58116477
3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 87577351
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002375
ethyl [5-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl] carbonate
CID 67084287
[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002361
morpholin-4-yl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002278

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [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) is [3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone is CCOc1noc(C2CC(c3ccc(CC)cc3)CN(C(=O)N3CCS(=O)CC3)C2)n1.
What is the InChIKey of [3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is WGPDZWNSRUVUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-3-16-5-7-17(8-6-16)18-13-19(20-23-21(24-30-20)29-4-2)15-26(14-18)22(27)25-9-11-31(28)12-10-25/h5-8,18-19H,3-4,9-15H2,1-2H3.
What are the key properties of [3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 446.57 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 58116470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).