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

C15H18FN3O — CID 115054634

IUPAC6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNCC2)nc2cccc(F)n12
InChIInChI=1S/C15H18FN3O/c16-13-2-1-3-14-18-12(10-15(20)19(13)14)5-4-11-6-8-17-9-7-11/h1-3,10-11,17H,4-9H2
InChIKeyPYHDCKXJZFSBTQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.77
Rot. Bonds3

About 6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one

6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054634) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054634
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNCC2)nc2cccc(F)n12
InChIInChI=1S/C15H18FN3O/c16-13-2-1-3-14-18-12(10-15(20)19(13)14)5-4-11-6-8-17-9-7-11/h1-3,10-11,17H,4-9H2
InChIKeyPYHDCKXJZFSBTQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054634) is 6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CCC2CCNCC2)nc2cccc(F)n12.
What is the InChIKey of 6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PYHDCKXJZFSBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-2-1-3-14-18-12(10-15(20)19(13)14)5-4-11-6-8-17-9-7-11/h1-3,10-11,17H,4-9H2.
What are the key properties of 6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
6-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 6-fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).