4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol

C17H23N3O3S — CID 133362474

IUPAC4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
SMILESCCc1nsc(N2CCC(O)(c3cc(OC)cc(OC)c3)CC2)n1
InChIInChI=1S/C17H23N3O3S/c1-4-15-18-16(24-19-15)20-7-5-17(21,6-8-20)12-9-13(22-2)11-14(10-12)23-3/h9-11,21H,4-8H2,1-3H3
InChIKeyNOHYJDSCBUOHRJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.61
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol

4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol (PubChem CID 133362474) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
PubChem CID133362474
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
SMILESCCc1nsc(N2CCC(O)(c3cc(OC)cc(OC)c3)CC2)n1
InChIInChI=1S/C17H23N3O3S/c1-4-15-18-16(24-19-15)20-7-5-17(21,6-8-20)12-9-13(22-2)11-14(10-12)23-3/h9-11,21H,4-8H2,1-3H3
InChIKeyNOHYJDSCBUOHRJ-UHFFFAOYSA-N
XLogP2.61
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol (CID 133362474) is 4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol is CCc1nsc(N2CCC(O)(c3cc(OC)cc(OC)c3)CC2)n1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The InChIKey is NOHYJDSCBUOHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-15-18-16(24-19-15)20-7-5-17(21,6-8-20)12-9-13(22-2)11-14(10-12)23-3/h9-11,21H,4-8H2,1-3H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol has a molecular weight of 349.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol is sourced from PubChem (CID 133362474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).