2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C14H14F3N3O — CID 115053372

IUPAC2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCCN2)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)9-4-6-20-12(7-9)19-11(8-13(20)21)10-3-1-2-5-18-10/h4,6-8,10,18H,1-3,5H2
InChIKeyCAJUOKWXCWXAJL-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.53
Rot. Bonds1

About 2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115053372) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115053372
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCCN2)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)9-4-6-20-12(7-9)19-11(8-13(20)21)10-3-1-2-5-18-10/h4,6-8,10,18H,1-3,5H2
InChIKeyCAJUOKWXCWXAJL-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

Analyze 2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-(3-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741712
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[(3E)-4-fluoro-5-prop-1-en-2-yliminopenta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one
CID 134558955
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-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 142511310
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-(5,6-dihydro-4H-imidazo[1,2-a]pyridin-4-ium-7-yl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 157784066
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

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115053372) is 2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCCCN2)nc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CAJUOKWXCWXAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)9-4-6-20-12(7-9)19-11(8-13(20)21)10-3-1-2-5-18-10/h4,6-8,10,18H,1-3,5H2.
What are the key properties of 2-piperidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-piperidin-2-yl-8-(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-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115053372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).