N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide

C18H25F3N2O — CID 169075067

IUPACN-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC(C(F)(F)F)CCN2)cc1C(C)(C)C
InChIInChI=1S/C18H25F3N2O/c1-11-5-6-13(10-14(11)17(2,3)4)23-16(24)15-9-12(7-8-22-15)18(19,20)21/h5-6,10,12,15,22H,7-9H2,1-4H3,(H,23,24)
InChIKeyKNOJKNQWOVNEIC-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.16
Rot. Bonds2

About N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide

N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 169075067) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID169075067
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC NameN-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC(C(F)(F)F)CCN2)cc1C(C)(C)C
InChIInChI=1S/C18H25F3N2O/c1-11-5-6-13(10-14(11)17(2,3)4)23-16(24)15-9-12(7-8-22-15)18(19,20)21/h5-6,10,12,15,22H,7-9H2,1-4H3,(H,23,24)
InChIKeyKNOJKNQWOVNEIC-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-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

(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55773022
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 114429036
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120618117
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide
CID 170148773

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide (CID 169075067) is N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide is Cc1ccc(NC(=O)C2CC(C(F)(F)F)CCN2)cc1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is KNOJKNQWOVNEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-11-5-6-13(10-14(11)17(2,3)4)23-16(24)15-9-12(7-8-22-15)18(19,20)21/h5-6,10,12,15,22H,7-9H2,1-4H3,(H,23,24).
What are the key properties of N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide?
N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 169075067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).