2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C16H18F3N3O — CID 170172202

IUPAC2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C(F)(F)F)cccn2c(=O)c1N1CCCCC1C
InChIInChI=1S/C16H18F3N3O/c1-10-6-3-4-8-21(10)13-11(2)20-14-12(16(17,18)19)7-5-9-22(14)15(13)23/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyDSVSUGKHBQEPFG-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.40
Rot. Bonds1

About 2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170172202) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID170172202
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C(F)(F)F)cccn2c(=O)c1N1CCCCC1C
InChIInChI=1S/C16H18F3N3O/c1-10-6-3-4-8-21(10)13-11(2)20-14-12(16(17,18)19)7-5-9-22(14)15(13)23/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyDSVSUGKHBQEPFG-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 170172202) is 2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1nc2c(C(F)(F)F)cccn2c(=O)c1N1CCCCC1C.
What is the InChIKey of 2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DSVSUGKHBQEPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-10-6-3-4-8-21(10)13-11(2)20-14-12(16(17,18)19)7-5-9-22(14)15(13)23/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170172202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).