3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one

C13H17FN4O — CID 68868134

IUPAC3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one
SMILESO=C1C(c2ccnc(F)n2)CCCN1C1CCNC1
InChIInChI=1S/C13H17FN4O/c14-13-16-6-4-11(17-13)10-2-1-7-18(12(10)19)9-3-5-15-8-9/h4,6,9-10,15H,1-3,5,7-8H2
InChIKeyVZBWVWBJJXPCPR-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.68
Rot. Bonds2

About 3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one

3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one (PubChem CID 68868134) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one.

Molecular Properties

Compound Name3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one
PubChem CID68868134
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one
SMILESO=C1C(c2ccnc(F)n2)CCCN1C1CCNC1
InChIInChI=1S/C13H17FN4O/c14-13-16-6-4-11(17-13)10-2-1-7-18(12(10)19)9-3-5-15-8-9/h4,6,9-10,15H,1-3,5,7-8H2
InChIKeyVZBWVWBJJXPCPR-UHFFFAOYSA-N
XLogP0.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one?
The IUPAC name of 3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one (CID 68868134) is 3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one.
What is the SMILES notation for 3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one?
The canonical SMILES for 3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one is O=C1C(c2ccnc(F)n2)CCCN1C1CCNC1.
What is the InChIKey of 3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one?
The InChIKey is VZBWVWBJJXPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c14-13-16-6-4-11(17-13)10-2-1-7-18(12(10)19)9-3-5-15-8-9/h4,6,9-10,15H,1-3,5,7-8H2.
What are the key properties of 3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one?
3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one has a molecular weight of 264.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropyrimidin-4-yl)-1-pyrrolidin-3-ylpiperidin-2-one is sourced from PubChem (CID 68868134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).