N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide

C15H19F3N2O3 — CID 71992851

IUPACN-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)c(OC)c1
InChIInChI=1S/C15H19F3N2O3/c1-22-11-3-4-12(13(9-11)23-2)19-14(21)20-7-5-10(6-8-20)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)
InChIKeyHMLQPJFNHGIAQP-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.51
Rot. Bonds3

About N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 71992851) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID71992851
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)c(OC)c1
InChIInChI=1S/C15H19F3N2O3/c1-22-11-3-4-12(13(9-11)23-2)19-14(21)20-7-5-10(6-8-20)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)
InChIKeyHMLQPJFNHGIAQP-UHFFFAOYSA-N
XLogP3.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522522
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087465
N-(2,4-dimethoxyphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide
CID 90495545
N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide
CID 121160046
(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 25297991
N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide
CID 51082771
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 6464385

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 71992851) is N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is HMLQPJFNHGIAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-22-11-3-4-12(13(9-11)23-2)19-14(21)20-7-5-10(6-8-20)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71992851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).