1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C22H22F4N2O2 — CID 155753916

IUPAC1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILES[2H]c1cc(C)c(C(=O)N2CCCC(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)C2)c(F)c1
InChIInChI=1S/C22H22F4N2O2/c1-13-8-9-16(11-17(13)22(24,25)26)27-20(29)15-6-4-10-28(12-15)21(30)19-14(2)5-3-7-18(19)23/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,27,29)/i3D
InChIKeyPCLIFHRBPRFVGJ-WFVSFCRTSA-N
MW423.43 g/mol
LogP4.95
Rot. Bonds3

About 1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 155753916) has the molecular formula C22H22F4N2O2 and a molecular weight of 423.43 g/mol. Its IUPAC name is 1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID155753916
Molecular FormulaC22H22F4N2O2
Molecular Weight423.43 g/mol
Exact Mass423.17
IUPAC Name1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILES[2H]c1cc(C)c(C(=O)N2CCCC(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)C2)c(F)c1
InChIInChI=1S/C22H22F4N2O2/c1-13-8-9-16(11-17(13)22(24,25)26)27-20(29)15-6-4-10-28(12-15)21(30)19-14(2)5-3-7-18(19)23/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,27,29)/i3D
InChIKeyPCLIFHRBPRFVGJ-WFVSFCRTSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2-fluoro-6-methylbenzoyl)-N-(3-piperidin-1-ylphenyl)piperidine-3-carboxamide
CID 129074399
methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 146337052
N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide
CID 121382012
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626

Frequently Asked Questions

What is the IUPAC name of 1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 155753916) is 1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is [2H]c1cc(C)c(C(=O)N2CCCC(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)C2)c(F)c1.
What is the InChIKey of 1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is PCLIFHRBPRFVGJ-WFVSFCRTSA-N. The full InChI is InChI=1S/C22H22F4N2O2/c1-13-8-9-16(11-17(13)22(24,25)26)27-20(29)15-6-4-10-28(12-15)21(30)19-14(2)5-3-7-18(19)23/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,27,29)/i3D.
What are the key properties of 1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 155753916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).