9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 121385010

IUPAC9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCN(Cc2cc(=O)n3cccc(O)c3n2)CC1
InChIInChI=1S/C15H19N3O2/c1-11-4-7-17(8-5-11)10-12-9-14(20)18-6-2-3-13(19)15(18)16-12/h2-3,6,9,11,19H,4-5,7-8,10H2,1H3
InChIKeyFAAFUWLKBXGRFL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.63
Rot. Bonds2

About 9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 121385010) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID121385010
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCN(Cc2cc(=O)n3cccc(O)c3n2)CC1
InChIInChI=1S/C15H19N3O2/c1-11-4-7-17(8-5-11)10-12-9-14(20)18-6-2-3-13(19)15(18)16-12/h2-3,6,9,11,19H,4-5,7-8,10H2,1H3
InChIKeyFAAFUWLKBXGRFL-UHFFFAOYSA-N
XLogP1.63
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 121385010) is 9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is CC1CCN(Cc2cc(=O)n3cccc(O)c3n2)CC1.
What is the InChIKey of 9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FAAFUWLKBXGRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-4-7-17(8-5-11)10-12-9-14(20)18-6-2-3-13(19)15(18)16-12/h2-3,6,9,11,19H,4-5,7-8,10H2,1H3.
What are the key properties of 9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121385010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).