9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one

C16H17F2N3O2 — CID 169155290

IUPAC9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1cc(C)cn2c(=O)cc(N3CCC(F)(F)CC3)nc12
InChIInChI=1S/C16H17F2N3O2/c1-10-7-12(11(2)22)15-19-13(8-14(23)21(15)9-10)20-5-3-16(17,18)4-6-20/h7-9H,3-6H2,1-2H3
InChIKeyKYSJMBPCYIPVDY-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.44
Rot. Bonds2

About 9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one

9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 169155290) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID169155290
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1cc(C)cn2c(=O)cc(N3CCC(F)(F)CC3)nc12
InChIInChI=1S/C16H17F2N3O2/c1-10-7-12(11(2)22)15-19-13(8-14(23)21(15)9-10)20-5-3-16(17,18)4-6-20/h7-9H,3-6H2,1-2H3
InChIKeyKYSJMBPCYIPVDY-UHFFFAOYSA-N
XLogP2.44
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-9-carbonyl)pyrrolidine-2-carboxylic acid
CID 170971374
2-[methyl-[1-(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
CID 170971432
9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 164600769
2-[1-[2-(azetidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethylamino]benzoic acid
CID 170971605
methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate
CID 169238594
2-(1,3-dihydroisoindol-2-yl)-9-(1-ethoxyethenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 171520368
9-ethenyl-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 164600757
1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone
CID 169266288
4-hydroxy-2-[1-(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)ethylamino]benzoic acid
CID 170971100
9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71159662
7-methyl-2-morpholin-4-yl-9-(2-pyridin-4-ylethenyl)pyrido[1,2-a]pyrimidin-4-one
CID 74066587
9-(2,6-dimethylanilino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179708

Frequently Asked Questions

What is the IUPAC name of 9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 169155290) is 9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one is CC(=O)c1cc(C)cn2c(=O)cc(N3CCC(F)(F)CC3)nc12.
What is the InChIKey of 9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KYSJMBPCYIPVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10-7-12(11(2)22)15-19-13(8-14(23)21(15)9-10)20-5-3-16(17,18)4-6-20/h7-9H,3-6H2,1-2H3.
What are the key properties of 9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 321.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 169155290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).