2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C17H22N4O2 — CID 126807772

IUPAC2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CNC3CCC(=O)NC3(C)C)cc(=O)n12
InChIInChI=1S/C17H22N4O2/c1-11-5-4-6-14-19-12(9-16(23)21(11)14)10-18-13-7-8-15(22)20-17(13,2)3/h4-6,9,13,18H,7-8,10H2,1-3H3,(H,20,22)
InChIKeyGAJQAKQHVMWZQX-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.15
Rot. Bonds3

About 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 126807772) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID126807772
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CNC3CCC(=O)NC3(C)C)cc(=O)n12
InChIInChI=1S/C17H22N4O2/c1-11-5-4-6-14-19-12(9-16(23)21(11)14)10-18-13-7-8-15(22)20-17(13,2)3/h4-6,9,13,18H,7-8,10H2,1-3H3,(H,20,22)
InChIKeyGAJQAKQHVMWZQX-UHFFFAOYSA-N
XLogP1.15
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8541863
6-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8541876
2-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8543384
2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8543398
2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8543410
1-[(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide
CID 8546021
1-[(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
CID 8546022
6-methyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8549826
6-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8549832
(3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxamide
CID 8709715
(3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 8709716
(3R)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxamide
CID 8709719

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 126807772) is 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CNC3CCC(=O)NC3(C)C)cc(=O)n12.
What is the InChIKey of 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GAJQAKQHVMWZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-5-4-6-14-19-12(9-16(23)21(11)14)10-18-13-7-8-15(22)20-17(13,2)3/h4-6,9,13,18H,7-8,10H2,1-3H3,(H,20,22).
What are the key properties of 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.39 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 126807772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).