2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C16H18F3N3O — CID 170172200

IUPAC2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C(F)(F)F)ccc(C)n2c(=O)c1N1CCCCC1
InChIInChI=1S/C16H18F3N3O/c1-10-6-7-12(16(17,18)19)14-20-11(2)13(15(23)22(10)14)21-8-4-3-5-9-21/h6-7H,3-5,8-9H2,1-2H3
InChIKeyXUSILLBHHLBKEX-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.32
Rot. Bonds1

About 2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170172200) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID170172200
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C(F)(F)F)ccc(C)n2c(=O)c1N1CCCCC1
InChIInChI=1S/C16H18F3N3O/c1-10-6-7-12(16(17,18)19)14-20-11(2)13(15(23)22(10)14)21-8-4-3-5-9-21/h6-7H,3-5,8-9H2,1-2H3
InChIKeyXUSILLBHHLBKEX-UHFFFAOYSA-N
XLogP3.32
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-Methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 45794754
2-Methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170172202
2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170172505
2-Methyl-3-(3-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170172507
2-Methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170327301
9-Methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42926969
9-Methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45794765
9-Methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 86842720
9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92861380
9-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92861381
2-[(3,5-Dimethylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 16383348
9-Methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42916697

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 170172200) is 2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1nc2c(C(F)(F)F)ccc(C)n2c(=O)c1N1CCCCC1.
What is the InChIKey of 2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XUSILLBHHLBKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-10-6-7-12(16(17,18)19)14-20-11(2)13(15(23)22(10)14)21-8-4-3-5-9-21/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.33 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170172200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).