(4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

C20H17ClF3NO2 — CID 162656397

IUPAC(4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H17ClF3NO2/c21-17-6-4-13(5-7-17)18(26)14-8-10-25(11-9-14)19(27)15-2-1-3-16(12-15)20(22,23)24/h1-7,12,14H,8-11H2
InChIKeyAZKARKNKLVGJTO-UHFFFAOYSA-N
MW395.81 g/mol
LogP5.09
Rot. Bonds3

About (4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

(4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (PubChem CID 162656397) has the molecular formula C20H17ClF3NO2 and a molecular weight of 395.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
PubChem CID162656397
Molecular FormulaC20H17ClF3NO2
Molecular Weight395.81 g/mol
Exact Mass395.09
IUPAC Name(4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H17ClF3NO2/c21-17-6-4-13(5-7-17)18(26)14-8-10-25(11-9-14)19(27)15-2-1-3-16(12-15)20(22,23)24/h1-7,12,14H,8-11H2
InChIKeyAZKARKNKLVGJTO-UHFFFAOYSA-N
XLogP5.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.81
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (CID 162656397) is (4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is AZKARKNKLVGJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3NO2/c21-17-6-4-13(5-7-17)18(26)14-8-10-25(11-9-14)19(27)15-2-1-3-16(12-15)20(22,23)24/h1-7,12,14H,8-11H2.
What are the key properties of (4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 395.81 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 162656397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).