2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C14H14F3N3O — CID 115053368

IUPAC2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCCN2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)9-4-3-7-20-12(21)8-11(19-13(9)20)10-5-1-2-6-18-10/h3-4,7-8,10,18H,1-2,5-6H2
InChIKeyXZZGSHFYFURMTJ-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.53
Rot. Bonds1

About 2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115053368) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115053368
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCCN2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)9-4-3-7-20-12(21)8-11(19-13(9)20)10-5-1-2-6-18-10/h3-4,7-8,10,18H,1-2,5-6H2
InChIKeyXZZGSHFYFURMTJ-UHFFFAOYSA-N
XLogP2.53
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethyl-9-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740549
3-(2-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740553
2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511449
9-methyl-3-[2-[(2S)-piperidin-2-yl]ethylamino]-7-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156321914
2-[1-[(1-Methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170161693
9-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039373
8-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039375
7-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039377
2-(2-Aminoethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115047998
2-Pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052042
2-Pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052044
2-Pyrrolidin-2-yl-7-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052046

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115053368) is 2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCCCN2)nc2c(C(F)(F)F)cccn12.
What is the InChIKey of 2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XZZGSHFYFURMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)9-4-3-7-20-12(21)8-11(19-13(9)20)10-5-1-2-6-18-10/h3-4,7-8,10,18H,1-2,5-6H2.
What are the key properties of 2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 297.28 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115053368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).