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

C16H23FN4OS — CID 126899893

IUPAC1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nc(C3CCC3)ns2)CC1
InChIInChI=1S/C16H23FN4OS/c17-9-11-8-14(22)21(10-11)13-4-6-20(7-5-13)16-18-15(19-23-16)12-2-1-3-12/h11-13H,1-10H2
InChIKeyBZRQUETVLYYYHW-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.59
Rot. Bonds4

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

1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899893) has the molecular formula C16H23FN4OS and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899893
Molecular FormulaC16H23FN4OS
Molecular Weight338.45 g/mol
Exact Mass338.16
IUPAC Name1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nc(C3CCC3)ns2)CC1
InChIInChI=1S/C16H23FN4OS/c17-9-11-8-14(22)21(10-11)13-4-6-20(7-5-13)16-18-15(19-23-16)12-2-1-3-12/h11-13H,1-10H2
InChIKeyBZRQUETVLYYYHW-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899893) is 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2nc(C3CCC3)ns2)CC1.
What is the InChIKey of 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is BZRQUETVLYYYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4OS/c17-9-11-8-14(22)21(10-11)13-4-6-20(7-5-13)16-18-15(19-23-16)12-2-1-3-12/h11-13H,1-10H2.
What are the key properties of 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 338.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).