4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one

C14H18F2N4O — CID 126899912

IUPAC4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2ncncc2F)CC1
InChIInChI=1S/C14H18F2N4O/c15-6-10-5-13(21)20(8-10)11-1-3-19(4-2-11)14-12(16)7-17-9-18-14/h7,9-11H,1-6,8H2
InChIKeyXIHBKCFXVFYCTM-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.40
Rot. Bonds3

About 4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899912) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899912
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2ncncc2F)CC1
InChIInChI=1S/C14H18F2N4O/c15-6-10-5-13(21)20(8-10)11-1-3-19(4-2-11)14-12(16)7-17-9-18-14/h7,9-11H,1-6,8H2
InChIKeyXIHBKCFXVFYCTM-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899912) is 4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2ncncc2F)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is XIHBKCFXVFYCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c15-6-10-5-13(21)20(8-10)11-1-3-19(4-2-11)14-12(16)7-17-9-18-14/h7,9-11H,1-6,8H2.
What are the key properties of 4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 296.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).