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

C15H16F3N3O — CID 170327301

IUPAC2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C(F)(F)F)cccn2c(=O)c1N1CCCCC1
InChIInChI=1S/C15H16F3N3O/c1-10-12(20-7-3-2-4-8-20)14(22)21-9-5-6-11(13(21)19-10)15(16,17)18/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKMYNUUZYKGXQFD-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.01
Rot. Bonds1

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

2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170327301) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID170327301
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C(F)(F)F)cccn2c(=O)c1N1CCCCC1
InChIInChI=1S/C15H16F3N3O/c1-10-12(20-7-3-2-4-8-20)14(22)21-9-5-6-11(13(21)19-10)15(16,17)18/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKMYNUUZYKGXQFD-UHFFFAOYSA-N
XLogP3.01
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 170327301) is 2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1nc2c(C(F)(F)F)cccn2c(=O)c1N1CCCCC1.
What is the InChIKey of 2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KMYNUUZYKGXQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-10-12(20-7-3-2-4-8-20)14(22)21-9-5-6-11(13(21)19-10)15(16,17)18/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 311.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-1-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170327301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).