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

C14H19FN4O — CID 14554099

IUPAC1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H19FN4O/c15-12-8-16-14(17-9-12)18-6-3-11(4-7-18)10-19-5-1-2-13(19)20/h8-9,11H,1-7,10H2
InChIKeyMKNKZTFXTWZZLU-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.45
Rot. Bonds3

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

1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 14554099) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID14554099
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H19FN4O/c15-12-8-16-14(17-9-12)18-6-3-11(4-7-18)10-19-5-1-2-13(19)20/h8-9,11H,1-7,10H2
InChIKeyMKNKZTFXTWZZLU-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (CID 14554099) is 1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is MKNKZTFXTWZZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c15-12-8-16-14(17-9-12)18-6-3-11(4-7-18)10-19-5-1-2-13(19)20/h8-9,11H,1-7,10H2.
What are the key properties of 1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 278.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 14554099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).