9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 760815

IUPAC9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2ccc(CN3CCCCC3)c(O)c2n1
InChIInChI=1S/C15H19N3O2/c1-11-9-13(19)18-8-5-12(14(20)15(18)16-11)10-17-6-3-2-4-7-17/h5,8-9,20H,2-4,6-7,10H2,1H3
InChIKeyOHZWONOBJCSPLP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.69
Rot. Bonds2

About 9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 760815) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID760815
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2ccc(CN3CCCCC3)c(O)c2n1
InChIInChI=1S/C15H19N3O2/c1-11-9-13(19)18-8-5-12(14(20)15(18)16-11)10-17-6-3-2-4-7-17/h5,8-9,20H,2-4,6-7,10H2,1H3
InChIKeyOHZWONOBJCSPLP-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 760815) is 9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2ccc(CN3CCCCC3)c(O)c2n1.
What is the InChIKey of 9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OHZWONOBJCSPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-9-13(19)18-8-5-12(14(20)15(18)16-11)10-17-6-3-2-4-7-17/h5,8-9,20H,2-4,6-7,10H2,1H3.
What are the key properties of 9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 760815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).