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

C16H22N3O+ — CID 8549826

IUPAC6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(C[NH+]3CCCC[C@H]3C)cc(=O)n12
InChIInChI=1S/C16H21N3O/c1-12-6-3-4-9-18(12)11-14-10-16(20)19-13(2)7-5-8-15(19)17-14/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyIOVJJOYBNSSCND-GFCCVEGCSA-O
MW272.37 g/mol
LogP0.96
Rot. Bonds2

About 6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 8549826) has the molecular formula C16H22N3O+ and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID8549826
Molecular FormulaC16H22N3O+
Molecular Weight272.37 g/mol
Exact Mass272.18
IUPAC Name6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(C[NH+]3CCCC[C@H]3C)cc(=O)n12
InChIInChI=1S/C16H21N3O/c1-12-6-3-4-9-18(12)11-14-10-16(20)19-13(2)7-5-8-15(19)17-14/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyIOVJJOYBNSSCND-GFCCVEGCSA-O
XLogP0.96
TPSA38.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 8549826) is 6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(C[NH+]3CCCC[C@H]3C)cc(=O)n12.
What is the InChIKey of 6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IOVJJOYBNSSCND-GFCCVEGCSA-O. The full InChI is InChI=1S/C16H21N3O/c1-12-6-3-4-9-18(12)11-14-10-16(20)19-13(2)7-5-8-15(19)17-14/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3/p+1/t12-/m1/s1.
What are the key properties of 6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.37 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8549826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).