3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C15H14F3N3O2 — CID 131916867

IUPAC3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)10-4-7-20(8-5-10)13(22)11-9-19-12-3-1-2-6-21(12)14(11)23/h1-3,6,9-10H,4-5,7-8H2
InChIKeyGDANQOUQHWQDFW-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.11
Rot. Bonds1

About 3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 131916867) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID131916867
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)10-4-7-20(8-5-10)13(22)11-9-19-12-3-1-2-6-21(12)14(11)23/h1-3,6,9-10H,4-5,7-8H2
InChIKeyGDANQOUQHWQDFW-UHFFFAOYSA-N
XLogP2.11
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 131916867) is 3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GDANQOUQHWQDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)10-4-7-20(8-5-10)13(22)11-9-19-12-3-1-2-6-21(12)14(11)23/h1-3,6,9-10H,4-5,7-8H2.
What are the key properties of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 131916867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).