4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one

C13H19FN4OS — CID 126899790

IUPAC4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nsc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C13H19FN4OS/c1-9-15-13(20-16-9)17-4-2-11(3-5-17)18-8-10(7-14)6-12(18)19/h10-11H,2-8H2,1H3
InChIKeyOBNMGKQSBMGRMZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.63
Rot. Bonds3

About 4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899790) has the molecular formula C13H19FN4OS and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899790
Molecular FormulaC13H19FN4OS
Molecular Weight298.39 g/mol
Exact Mass298.13
IUPAC Name4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nsc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C13H19FN4OS/c1-9-15-13(20-16-9)17-4-2-11(3-5-17)18-8-10(7-14)6-12(18)19/h10-11H,2-8H2,1H3
InChIKeyOBNMGKQSBMGRMZ-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899790) is 4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is Cc1nsc(N2CCC(N3CC(CF)CC3=O)CC2)n1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is OBNMGKQSBMGRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4OS/c1-9-15-13(20-16-9)17-4-2-11(3-5-17)18-8-10(7-14)6-12(18)19/h10-11H,2-8H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 298.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).