4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C22H24F4N2O — CID 142821645

IUPAC4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN1CCC(Cc2ccc(F)cc2)(C(=O)NCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H24F4N2O/c1-28-11-9-21(10-12-28,14-16-5-7-19(23)8-6-16)20(29)27-15-17-3-2-4-18(13-17)22(24,25)26/h2-8,13H,9-12,14-15H2,1H3,(H,27,29)
InChIKeyDBEZNDDOJNFVRW-UHFFFAOYSA-N
MW408.44 g/mol
LogP4.42
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 142821645) has the molecular formula C22H24F4N2O and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID142821645
Molecular FormulaC22H24F4N2O
Molecular Weight408.44 g/mol
Exact Mass408.18
IUPAC Name4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN1CCC(Cc2ccc(F)cc2)(C(=O)NCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H24F4N2O/c1-28-11-9-21(10-12-28,14-16-5-7-19(23)8-6-16)20(29)27-15-17-3-2-4-18(13-17)22(24,25)26/h2-8,13H,9-12,14-15H2,1H3,(H,27,29)
InChIKeyDBEZNDDOJNFVRW-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 143992872
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CID 120617133
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 51274161
4-(aminomethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120918176
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
1-N-[(4-fluorophenyl)methyl]-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975875
1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 18449573
1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 59684912
4-(4-fluorophenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide
CID 33253838
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 142821645) is 4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CN1CCC(Cc2ccc(F)cc2)(C(=O)NCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is DBEZNDDOJNFVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2O/c1-28-11-9-21(10-12-28,14-16-5-7-19(23)8-6-16)20(29)27-15-17-3-2-4-18(13-17)22(24,25)26/h2-8,13H,9-12,14-15H2,1H3,(H,27,29).
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 142821645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).