phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone

C19H17F3N2O2 — CID 24687214

IUPACphenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)16-7-6-15(12-23-16)18(26)24-10-8-14(9-11-24)17(25)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2
InChIKeyCYZDYIQTVMERNS-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.84
Rot. Bonds3

About phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone

phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone (PubChem CID 24687214) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
PubChem CID24687214
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Namephenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)16-7-6-15(12-23-16)18(26)24-10-8-14(9-11-24)17(25)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2
InChIKeyCYZDYIQTVMERNS-UHFFFAOYSA-N
XLogP3.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone (CID 24687214) is phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone is O=C(c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
The InChIKey is CYZDYIQTVMERNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)16-7-6-15(12-23-16)18(26)24-10-8-14(9-11-24)17(25)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2.
What are the key properties of phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone?
phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone has a molecular weight of 362.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 24687214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).