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

C15H19N3O — CID 17402923

IUPAC2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C15H19N3O/c1-12-5-4-7-17(10-12)11-13-9-15(19)18-8-3-2-6-14(18)16-13/h2-3,6,8-9,12H,4-5,7,10-11H2,1H3
InChIKeyJSFUSAWXMIGZAO-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.93
Rot. Bonds2

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

2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 17402923) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID17402923
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C15H19N3O/c1-12-5-4-7-17(10-12)11-13-9-15(19)18-8-3-2-6-14(18)16-13/h2-3,6,8-9,12H,4-5,7,10-11H2,1H3
InChIKeyJSFUSAWXMIGZAO-UHFFFAOYSA-N
XLogP1.93
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 17402923) is 2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is CC1CCCN(Cc2cc(=O)n3ccccc3n2)C1.
What is the InChIKey of 2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JSFUSAWXMIGZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-5-4-7-17(10-12)11-13-9-15(19)18-8-3-2-6-14(18)16-13/h2-3,6,8-9,12H,4-5,7,10-11H2,1H3.
What are the key properties of 2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 257.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17402923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).