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

C15H19N3O2 — CID 115873575

IUPAC2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1(O)CCCN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C15H19N3O2/c1-15(20)6-4-7-17(11-15)10-12-9-14(19)18-8-3-2-5-13(18)16-12/h2-3,5,8-9,20H,4,6-7,10-11H2,1H3
InChIKeyHKFZJFGBNBZTPS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.04
Rot. Bonds2

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

2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115873575) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID115873575
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1(O)CCCN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C15H19N3O2/c1-15(20)6-4-7-17(11-15)10-12-9-14(19)18-8-3-2-5-13(18)16-12/h2-3,5,8-9,20H,4,6-7,10-11H2,1H3
InChIKeyHKFZJFGBNBZTPS-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 115873575) is 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is CC1(O)CCCN(Cc2cc(=O)n3ccccc3n2)C1.
What is the InChIKey of 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HKFZJFGBNBZTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(20)6-4-7-17(11-15)10-12-9-14(19)18-8-3-2-5-13(18)16-12/h2-3,5,8-9,20H,4,6-7,10-11H2,1H3.
What are the key properties of 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115873575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).