7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H22N4O — CID 119923564

IUPAC7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCNC1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1
InChIInChI=1S/C16H22N4O/c1-12-3-4-15-18-14(9-16(21)20(15)10-12)11-19-7-5-13(17-2)6-8-19/h3-4,9-10,13,17H,5-8,11H2,1-2H3
InChIKeyADXKLFNCSRHBQQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.19
Rot. Bonds3

About 7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 119923564) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID119923564
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCNC1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1
InChIInChI=1S/C16H22N4O/c1-12-3-4-15-18-14(9-16(21)20(15)10-12)11-19-7-5-13(17-2)6-8-19/h3-4,9-10,13,17H,5-8,11H2,1-2H3
InChIKeyADXKLFNCSRHBQQ-UHFFFAOYSA-N
XLogP1.19
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119923563
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 62063779
7-methyl-2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104341
2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 103577216
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46559558
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120771966
2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119927110
1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441956
7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42957774
7-methyl-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 48633888
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 119923564) is 7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is CNC1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1.
What is the InChIKey of 7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ADXKLFNCSRHBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-3-4-15-18-14(9-16(21)20(15)10-12)11-19-7-5-13(17-2)6-8-19/h3-4,9-10,13,17H,5-8,11H2,1-2H3.
What are the key properties of 7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 119923564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).