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

C15H16F3N3O — CID 115054638

IUPAC2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCCNC2)nc2cccc(C(F)(F)F)n12
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)12-4-1-5-13-20-11(8-14(22)21(12)13)7-10-3-2-6-19-9-10/h1,4-5,8,10,19H,2-3,6-7,9H2
InChIKeyIABNSVKXSLBSQH-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.26
Rot. Bonds2

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

2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054638) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054638
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCCNC2)nc2cccc(C(F)(F)F)n12
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)12-4-1-5-13-20-11(8-14(22)21(12)13)7-10-3-2-6-19-9-10/h1,4-5,8,10,19H,2-3,6-7,9H2
InChIKeyIABNSVKXSLBSQH-UHFFFAOYSA-N
XLogP2.26
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054638) is 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CC2CCCNC2)nc2cccc(C(F)(F)F)n12.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IABNSVKXSLBSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c16-15(17,18)12-4-1-5-13-20-11(8-14(22)21(12)13)7-10-3-2-6-19-9-10/h1,4-5,8,10,19H,2-3,6-7,9H2.
What are the key properties of 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 311.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).