2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 60672389

IUPAC2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC(CO)C2)nc2ccccn12
InChIInChI=1S/C15H19N3O2/c19-11-12-4-3-6-17(9-12)10-13-8-15(20)18-7-2-1-5-14(18)16-13/h1-2,5,7-8,12,19H,3-4,6,9-11H2
InChIKeyXQVRJZPMEQJROD-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.90
Rot. Bonds3

About 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60672389) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60672389
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC(CO)C2)nc2ccccn12
InChIInChI=1S/C15H19N3O2/c19-11-12-4-3-6-17(9-12)10-13-8-15(20)18-7-2-1-5-14(18)16-13/h1-2,5,7-8,12,19H,3-4,6,9-11H2
InChIKeyXQVRJZPMEQJROD-UHFFFAOYSA-N
XLogP0.90
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60672389) is 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCCC(CO)C2)nc2ccccn12.
What is the InChIKey of 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XQVRJZPMEQJROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-11-12-4-3-6-17(9-12)10-13-8-15(20)18-7-2-1-5-14(18)16-13/h1-2,5,7-8,12,19H,3-4,6,9-11H2.
What are the key properties of 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60672389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).