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

C14H21FN4O2S — CID 126899903

IUPAC4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCOCc1nsc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C14H21FN4O2S/c1-21-9-12-16-14(22-17-12)18-4-2-11(3-5-18)19-8-10(7-15)6-13(19)20/h10-11H,2-9H2,1H3
InChIKeyLUMGNJMLZHGVDE-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.47
Rot. Bonds5

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

4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899903) has the molecular formula C14H21FN4O2S and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899903
Molecular FormulaC14H21FN4O2S
Molecular Weight328.41 g/mol
Exact Mass328.14
IUPAC Name4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCOCc1nsc(N2CCC(N3CC(CF)CC3=O)CC2)n1
InChIInChI=1S/C14H21FN4O2S/c1-21-9-12-16-14(22-17-12)18-4-2-11(3-5-18)19-8-10(7-15)6-13(19)20/h10-11H,2-9H2,1H3
InChIKeyLUMGNJMLZHGVDE-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one (CID 126899903) is 4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one is COCc1nsc(N2CCC(N3CC(CF)CC3=O)CC2)n1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is LUMGNJMLZHGVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2S/c1-21-9-12-16-14(22-17-12)18-4-2-11(3-5-18)19-8-10(7-15)6-13(19)20/h10-11H,2-9H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).