N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide

C22H23F3N2O2 — CID 50804308

IUPACN-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c(C)c1
InChIInChI=1S/C22H23F3N2O2/c1-14-8-9-19(15(2)11-14)26-20(28)17-6-4-10-27(13-17)21(29)16-5-3-7-18(12-16)22(23,24)25/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,26,28)
InChIKeyPQOQRNSRIXFJOS-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.81
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide

N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide (PubChem CID 50804308) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
PubChem CID50804308
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c(C)c1
InChIInChI=1S/C22H23F3N2O2/c1-14-8-9-19(15(2)11-14)26-20(28)17-6-4-10-27(13-17)21(29)16-5-3-7-18(12-16)22(23,24)25/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,26,28)
InChIKeyPQOQRNSRIXFJOS-UHFFFAOYSA-N
XLogP4.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 94082301
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 50803874
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
N-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804362

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide (CID 50804308) is N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is PQOQRNSRIXFJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-14-8-9-19(15(2)11-14)26-20(28)17-6-4-10-27(13-17)21(29)16-5-3-7-18(12-16)22(23,24)25/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,26,28).
What are the key properties of N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 50804308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).