pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone

C16H15F3N4O — CID 72933635

IUPACpyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
SMILESO=C(c1cccnc1)C1CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-5-7-21-15(22-13)23-8-2-4-12(10-23)14(24)11-3-1-6-20-9-11/h1,3,5-7,9,12H,2,4,8,10H2
InChIKeyYQGDJOTZWKGXDJ-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.99
Rot. Bonds3

About pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone

pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone (PubChem CID 72933635) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
PubChem CID72933635
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Namepyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
SMILESO=C(c1cccnc1)C1CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-5-7-21-15(22-13)23-8-2-4-12(10-23)14(24)11-3-1-6-20-9-11/h1,3,5-7,9,12H,2,4,8,10H2
InChIKeyYQGDJOTZWKGXDJ-UHFFFAOYSA-N
XLogP2.99
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
The IUPAC name of pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone (CID 72933635) is pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
The canonical SMILES for pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone is O=C(c1cccnc1)C1CCCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
The InChIKey is YQGDJOTZWKGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)13-5-7-21-15(22-13)23-8-2-4-12(10-23)14(24)11-3-1-6-20-9-11/h1,3,5-7,9,12H,2,4,8,10H2.
What are the key properties of pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone has a molecular weight of 336.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 72933635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).