8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one

C15H18FN3O — CID 115054733

IUPAC8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNCC2)nc2cc(F)ccn12
InChIInChI=1S/C15H18FN3O/c16-12-5-8-19-14(9-12)18-13(10-15(19)20)2-1-11-3-6-17-7-4-11/h5,8-11,17H,1-4,6-7H2
InChIKeyKMRMIGXVROHFPA-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.77
Rot. Bonds3

About 8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one

8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054733) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054733
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNCC2)nc2cc(F)ccn12
InChIInChI=1S/C15H18FN3O/c16-12-5-8-19-14(9-12)18-13(10-15(19)20)2-1-11-3-6-17-7-4-11/h5,8-11,17H,1-4,6-7H2
InChIKeyKMRMIGXVROHFPA-UHFFFAOYSA-N
XLogP1.77
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054733) is 8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CCC2CCNCC2)nc2cc(F)ccn12.
What is the InChIKey of 8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KMRMIGXVROHFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-12-5-8-19-14(9-12)18-13(10-15(19)20)2-1-11-3-6-17-7-4-11/h5,8-11,17H,1-4,6-7H2.
What are the key properties of 8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 275.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).