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

C15H21FN4OS — CID 126899907

IUPAC1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C15H21FN4OS/c16-8-10-7-13(21)20(9-10)12-3-5-19(6-4-12)15-17-14(18-22-15)11-1-2-11/h10-12H,1-9H2
InChIKeyRAMVQPACWPHJCN-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.20
Rot. Bonds4

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

1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899907) has the molecular formula C15H21FN4OS and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899907
Molecular FormulaC15H21FN4OS
Molecular Weight324.43 g/mol
Exact Mass324.14
IUPAC Name1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C15H21FN4OS/c16-8-10-7-13(21)20(9-10)12-3-5-19(6-4-12)15-17-14(18-22-15)11-1-2-11/h10-12H,1-9H2
InChIKeyRAMVQPACWPHJCN-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899907) is 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is RAMVQPACWPHJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4OS/c16-8-10-7-13(21)20(9-10)12-3-5-19(6-4-12)15-17-14(18-22-15)11-1-2-11/h10-12H,1-9H2.
What are the key properties of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 324.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).