[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C14H15ClN4O2S — CID 122243488

IUPAC[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C14H15ClN4O2S/c1-9-13(22-18-17-9)14(20)19-6-2-3-10(8-19)21-12-4-5-16-7-11(12)15/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyMMEKZNNNPSLECS-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.58
Rot. Bonds3

About [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 122243488) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID122243488
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C14H15ClN4O2S/c1-9-13(22-18-17-9)14(20)19-6-2-3-10(8-19)21-12-4-5-16-7-11(12)15/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyMMEKZNNNPSLECS-UHFFFAOYSA-N
XLogP2.58
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122256319
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122256393
(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 91627868
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 122243487
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122256419
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122256222
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(diethylamino)phenyl]methanone
CID 122256407
3-[(3-chloro-4-pyridinyl)oxy]-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 122256463

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 122243488) is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is MMEKZNNNPSLECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c1-9-13(22-18-17-9)14(20)19-6-2-3-10(8-19)21-12-4-5-16-7-11(12)15/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 338.82 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 122243488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).