[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C15H24N4O2S — CID 90616260

IUPAC[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCOC1CCN(C2CCN(C(=O)c3snnc3C)CC2)CC1
InChIInChI=1S/C15H24N4O2S/c1-11-14(22-17-16-11)15(20)19-7-3-12(4-8-19)18-9-5-13(21-2)6-10-18/h12-13H,3-10H2,1-2H3
InChIKeyRRJKFGWOADHONP-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.56
Rot. Bonds3

About [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 90616260) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID90616260
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCOC1CCN(C2CCN(C(=O)c3snnc3C)CC2)CC1
InChIInChI=1S/C15H24N4O2S/c1-11-14(22-17-16-11)15(20)19-7-3-12(4-8-19)18-9-5-13(21-2)6-10-18/h12-13H,3-10H2,1-2H3
InChIKeyRRJKFGWOADHONP-UHFFFAOYSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 90616260) is [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is COC1CCN(C2CCN(C(=O)c3snnc3C)CC2)CC1.
What is the InChIKey of [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is RRJKFGWOADHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11-14(22-17-16-11)15(20)19-7-3-12(4-8-19)18-9-5-13(21-2)6-10-18/h12-13H,3-10H2,1-2H3.
What are the key properties of [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 324.45 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 90616260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).