N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide

C22H23F3N2O2 — CID 45206398

IUPACN-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C22H23F3N2O2/c1-14-5-3-6-15(2)19(14)26-21(29)27-12-4-7-17(13-27)20(28)16-8-10-18(11-9-16)22(23,24)25/h3,5-6,8-11,17H,4,7,12-13H2,1-2H3,(H,26,29)
InChIKeyOTMFTFJQOVMXJG-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.45
Rot. Bonds3

About N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide

N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide (PubChem CID 45206398) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
PubChem CID45206398
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C22H23F3N2O2/c1-14-5-3-6-15(2)19(14)26-21(29)27-12-4-7-17(13-27)20(28)16-8-10-18(11-9-16)22(23,24)25/h3,5-6,8-11,17H,4,7,12-13H2,1-2H3,(H,26,29)
InChIKeyOTMFTFJQOVMXJG-UHFFFAOYSA-N
XLogP5.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
CID 45241693
ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
CID 45232941
2-amino-2-methyl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 72850239
1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 25308165
4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 45232640
3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 56823749
(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 25297991
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
[(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 26332398
N-(2-chloro-6-methylphenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide
CID 7176528
3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 42286062
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide (CID 45206398) is N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide?
The InChIKey is OTMFTFJQOVMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-14-5-3-6-15(2)19(14)26-21(29)27-12-4-7-17(13-27)20(28)16-8-10-18(11-9-16)22(23,24)25/h3,5-6,8-11,17H,4,7,12-13H2,1-2H3,(H,26,29).
What are the key properties of N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide?
N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide is sourced from PubChem (CID 45206398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).