2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 42911695

IUPAC2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC(O)CC3)cc(=O)n2c1
InChIInChI=1S/C15H19N3O2/c1-11-2-3-14-16-12(8-15(20)18(14)9-11)10-17-6-4-13(19)5-7-17/h2-3,8-9,13,19H,4-7,10H2,1H3
InChIKeyMGRWNISKGNIKOL-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds2

About 2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 42911695) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID42911695
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC(O)CC3)cc(=O)n2c1
InChIInChI=1S/C15H19N3O2/c1-11-2-3-14-16-12(8-15(20)18(14)9-11)10-17-6-4-13(19)5-7-17/h2-3,8-9,13,19H,4-7,10H2,1H3
InChIKeyMGRWNISKGNIKOL-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 42911695) is 2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCC(O)CC3)cc(=O)n2c1.
What is the InChIKey of 2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MGRWNISKGNIKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-2-3-14-16-12(8-15(20)18(14)9-11)10-17-6-4-13(19)5-7-17/h2-3,8-9,13,19H,4-7,10H2,1H3.
What are the key properties of 2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42911695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).