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

C16H22N3O+ — CID 8583054

IUPAC7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C[NH+]3CCCC[C@H]3C)cc(=O)n2c1
InChIInChI=1S/C16H21N3O/c1-12-6-7-15-17-14(9-16(20)19(15)10-12)11-18-8-4-3-5-13(18)2/h6-7,9-10,13H,3-5,8,11H2,1-2H3/p+1/t13-/m1/s1
InChIKeyRIAXVHHFLJDEFS-CYBMUJFWSA-O
MW272.37 g/mol
LogP0.96
Rot. Bonds2

About 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 8583054) has the molecular formula C16H22N3O+ and a molecular weight of 272.37 g/mol. Its IUPAC name is 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID8583054
Molecular FormulaC16H22N3O+
Molecular Weight272.37 g/mol
Exact Mass272.18
IUPAC Name7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C[NH+]3CCCC[C@H]3C)cc(=O)n2c1
InChIInChI=1S/C16H21N3O/c1-12-6-7-15-17-14(9-16(20)19(15)10-12)11-18-8-4-3-5-13(18)2/h6-7,9-10,13H,3-5,8,11H2,1-2H3/p+1/t13-/m1/s1
InChIKeyRIAXVHHFLJDEFS-CYBMUJFWSA-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

Analyze 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-(Azocan-1-ylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8485777
8-Methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 4826064
2-[[(1-Ethylpyrrolidin-2-yl)methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 16255203
7-Methyl-2-(1-piperidylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 390351
3-(1-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740551
2-(1-Fluoropropyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741703
9-Fluoro-2-piperidin-4-yl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 89741706
3-(1-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741709
3-(3-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741712
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[(3E)-4-fluoro-5-prop-1-en-2-yliminopenta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one
CID 134558955
2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 137374197
2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 142511310

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 8583054) is 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(C[NH+]3CCCC[C@H]3C)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RIAXVHHFLJDEFS-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H21N3O/c1-12-6-7-15-17-14(9-16(20)19(15)10-12)11-18-8-4-3-5-13(18)2/h6-7,9-10,13H,3-5,8,11H2,1-2H3/p+1/t13-/m1/s1.
What are the key properties of 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-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 7-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8583054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).