1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C27H24F6N2O — CID 42866502

IUPAC1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1CC(c2ccc(F)cc2)CN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C27H24F6N2O/c28-23-7-4-18(5-8-23)20-11-21(16-35(15-20)14-19-6-9-24(29)12-25(19)30)26(36)34-13-17-2-1-3-22(10-17)27(31,32)33/h1-10,12,20-21H,11,13-16H2,(H,34,36)
InChIKeyWDTRLWZKEJATRM-UHFFFAOYSA-N
MW506.49 g/mol
LogP6.04
Rot. Bonds6

About 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 42866502) has the molecular formula C27H24F6N2O and a molecular weight of 506.49 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID42866502
Molecular FormulaC27H24F6N2O
Molecular Weight506.49 g/mol
Exact Mass506.18
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1CC(c2ccc(F)cc2)CN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C27H24F6N2O/c28-23-7-4-18(5-8-23)20-11-21(16-35(15-20)14-19-6-9-24(29)12-25(19)30)26(36)34-13-17-2-1-3-22(10-17)27(31,32)33/h1-10,12,20-21H,11,13-16H2,(H,34,36)
InChIKeyWDTRLWZKEJATRM-UHFFFAOYSA-N
XLogP6.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.49
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92997354
1-[(2,4-difluorophenyl)methyl]-5-phenyl-N-prop-2-enylpiperidine-3-carboxamide
CID 42865682
1-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-phenylpiperidine-3-carboxamide
CID 42865681
(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92996611
(3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 92997150
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46065513
1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-N-(4,4,4-trifluorobutyl)azetidine-3-carboxamide
CID 176930158
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930799
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848
(5R)-3-(2,5-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 99807157
N-(2,2-dimethylpropyl)-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide
CID 176930568

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 42866502) is 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)C1CC(c2ccc(F)cc2)CN(Cc2ccc(F)cc2F)C1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is WDTRLWZKEJATRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F6N2O/c28-23-7-4-18(5-8-23)20-11-21(16-35(15-20)14-19-6-9-24(29)12-25(19)30)26(36)34-13-17-2-1-3-22(10-17)27(31,32)33/h1-10,12,20-21H,11,13-16H2,(H,34,36).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42866502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).