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

C16H22N3O+ — CID 8541876

IUPAC6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(C[NH+]3CCC[C@@H](C)C3)cc(=O)n12
InChIInChI=1S/C16H21N3O/c1-12-5-4-8-18(10-12)11-14-9-16(20)19-13(2)6-3-7-15(19)17-14/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyQNFQTPXYARNJMP-GFCCVEGCSA-O
MW272.37 g/mol
LogP0.82
Rot. Bonds2

About 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 8541876) has the molecular formula C16H22N3O+ and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID8541876
Molecular FormulaC16H22N3O+
Molecular Weight272.37 g/mol
Exact Mass272.18
IUPAC Name6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(C[NH+]3CCC[C@@H](C)C3)cc(=O)n12
InChIInChI=1S/C16H21N3O/c1-12-5-4-8-18(10-12)11-14-9-16(20)19-13(2)6-3-7-15(19)17-14/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyQNFQTPXYARNJMP-GFCCVEGCSA-O
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
6-Methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42891681
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
2-[(4-Methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45851301
6-Methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
6-Fluoro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054601
6-Fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054613
6-Fluoro-2-(2-piperidin-4-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054634
6-Fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054641
7-Bromo-2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 16229344
2-isopropyl-6-[(3-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046575

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 8541876) is 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(C[NH+]3CCC[C@@H](C)C3)cc(=O)n12.
What is the InChIKey of 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QNFQTPXYARNJMP-GFCCVEGCSA-O. The full InChI is InChI=1S/C16H21N3O/c1-12-5-4-8-18(10-12)11-14-9-16(20)19-13(2)6-3-7-15(19)17-14/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3/p+1/t12-/m1/s1.
What are the key properties of 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.37 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8541876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).