2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 47106935

IUPAC2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCC(O)C3)nc12
InChIInChI=1S/C15H19N3O2/c1-11-4-2-7-18-14(20)8-12(16-15(11)18)9-17-6-3-5-13(19)10-17/h2,4,7-8,13,19H,3,5-6,9-10H2,1H3
InChIKeyVINRIMZVCRVLRZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds2

About 2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 47106935) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID47106935
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCC(O)C3)nc12
InChIInChI=1S/C15H19N3O2/c1-11-4-2-7-18-14(20)8-12(16-15(11)18)9-17-6-3-5-13(19)10-17/h2,4,7-8,13,19H,3,5-6,9-10H2,1H3
InChIKeyVINRIMZVCRVLRZ-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-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 47106935) is 2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCCC(O)C3)nc12.
What is the InChIKey of 2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VINRIMZVCRVLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-4-2-7-18-14(20)8-12(16-15(11)18)9-17-6-3-5-13(19)10-17/h2,4,7-8,13,19H,3,5-6,9-10H2,1H3.
What are the key properties of 2-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(3-hydroxypiperidin-1-yl)methyl]-9-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-[(3-hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47106935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).