(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C21H18F6N2O2 — CID 94082199

IUPAC(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H18F6N2O2/c22-20(23,24)15-6-1-4-13(10-15)19(31)29-9-3-5-14(12-29)18(30)28-17-8-2-7-16(11-17)21(25,26)27/h1-2,4,6-8,10-11,14H,3,5,9,12H2,(H,28,30)/t14-/m1/s1
InChIKeyRUQMOHVJJDOVOA-CQSZACIVSA-N
MW444.38 g/mol
LogP5.22
Rot. Bonds3

About (3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 94082199) has the molecular formula C21H18F6N2O2 and a molecular weight of 444.38 g/mol. Its IUPAC name is (3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID94082199
Molecular FormulaC21H18F6N2O2
Molecular Weight444.38 g/mol
Exact Mass444.13
IUPAC Name(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H18F6N2O2/c22-20(23,24)15-6-1-4-13(10-15)19(31)29-9-3-5-14(12-29)18(30)28-17-8-2-7-16(11-17)21(25,26)27/h1-2,4,6-8,10-11,14H,3,5,9,12H2,(H,28,30)/t14-/m1/s1
InChIKeyRUQMOHVJJDOVOA-CQSZACIVSA-N
XLogP5.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.38
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804308
(3S)-N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 94082301
(3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
CID 95247853
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 94082199) is (3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is RUQMOHVJJDOVOA-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18F6N2O2/c22-20(23,24)15-6-1-4-13(10-15)19(31)29-9-3-5-14(12-29)18(30)28-17-8-2-7-16(11-17)21(25,26)27/h1-2,4,6-8,10-11,14H,3,5,9,12H2,(H,28,30)/t14-/m1/s1.
What are the key properties of (3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 444.38 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 94082199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).