1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone

C15H22F2N4OS — CID 171992939

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
SMILESCc1nsc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C15H22F2N4OS/c1-11-18-14(23-19-11)21-6-2-12(3-7-21)10-13(22)20-8-4-15(16,17)5-9-20/h12H,2-10H2,1H3
InChIKeyUXLLGMFDSGFVOZ-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.71
Rot. Bonds3

About 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone

1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone (PubChem CID 171992939) has the molecular formula C15H22F2N4OS and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
PubChem CID171992939
Molecular FormulaC15H22F2N4OS
Molecular Weight344.43 g/mol
Exact Mass344.15
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
SMILESCc1nsc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C15H22F2N4OS/c1-11-18-14(23-19-11)21-6-2-12(3-7-21)10-13(22)20-8-4-15(16,17)5-9-20/h12H,2-10H2,1H3
InChIKeyUXLLGMFDSGFVOZ-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone (CID 171992939) is 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone is Cc1nsc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone?
The InChIKey is UXLLGMFDSGFVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4OS/c1-11-18-14(23-19-11)21-6-2-12(3-7-21)10-13(22)20-8-4-15(16,17)5-9-20/h12H,2-10H2,1H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone has a molecular weight of 344.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 171992939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).