[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C17H22N4O2S — CID 71799599

IUPAC[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Oc2cccc(C)n2)CC1
InChIInChI=1S/C17H22N4O2S/c1-3-5-14-16(24-20-19-14)17(22)21-10-8-13(9-11-21)23-15-7-4-6-12(2)18-15/h4,6-7,13H,3,5,8-11H2,1-2H3
InChIKeyWRJFFPJGFDBVEA-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.88
Rot. Bonds5

About [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 71799599) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID71799599
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Oc2cccc(C)n2)CC1
InChIInChI=1S/C17H22N4O2S/c1-3-5-14-16(24-20-19-14)17(22)21-10-8-13(9-11-21)23-15-7-4-6-12(2)18-15/h4,6-7,13H,3,5,8-11H2,1-2H3
InChIKeyWRJFFPJGFDBVEA-UHFFFAOYSA-N
XLogP2.88
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 56814277
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
(2,5-dichlorophenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799558
(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559987
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 106837062
(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129417594
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
(6-chloro-1H-indol-2-yl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 75447446
(4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 71805668
1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799555
2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 71799599) is [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(Oc2cccc(C)n2)CC1.
What is the InChIKey of [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is WRJFFPJGFDBVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-3-5-14-16(24-20-19-14)17(22)21-10-8-13(9-11-21)23-15-7-4-6-12(2)18-15/h4,6-7,13H,3,5,8-11H2,1-2H3.
What are the key properties of [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71799599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).