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

C14H14F3N3O — CID 115053366

IUPAC2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNCC2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-2-1-7-20-12(21)8-11(19-13(10)20)9-3-5-18-6-4-9/h1-2,7-9,18H,3-6H2
InChIKeyIIHZNBIZVVJVSZ-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.18
Rot. Bonds1

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

2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115053366) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115053366
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNCC2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-2-1-7-20-12(21)8-11(19-13(10)20)9-3-5-18-6-4-9/h1-2,7-9,18H,3-6H2
InChIKeyIIHZNBIZVVJVSZ-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-Fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89740350
2-(1-Fluoroethyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740546
3-Ethyl-9-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740549
3-(1-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740551
3-(2-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740553
2-[1-(3-Fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89741373
2-(1-Fluoropropyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741703
9-Fluoro-2-piperidin-4-yl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 89741706
3-(1-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741709
3-(3-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741712
2-[(2E,4E)-5-(1,1-difluoroethyl)-6-methylhepta-2,4,6-trien-3-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;(Z)-3,4-dimethylhex-2-ene;ethane
CID 142511254
2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511416

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115053366) is 2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNCC2)nc2c(C(F)(F)F)cccn12.
What is the InChIKey of 2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IIHZNBIZVVJVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)10-2-1-7-20-12(21)8-11(19-13(10)20)9-3-5-18-6-4-9/h1-2,7-9,18H,3-6H2.
What are the key properties of 2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 297.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115053366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).