(3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide

C28H27F4N3O2 — CID 92997150

IUPAC(3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
SMILESCc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CN(C(=O)Nc3ccccc3)C2)ccc1F
InChIInChI=1S/C28H27F4N3O2/c1-18-12-20(10-11-25(18)29)21-14-22(17-35(16-21)27(37)34-24-8-3-2-4-9-24)26(36)33-15-19-6-5-7-23(13-19)28(30,31)32/h2-13,21-22H,14-17H2,1H3,(H,33,36)(H,34,37)/t21-,22+/m0/s1
InChIKeyQTBQQADDDAMDJU-FCHUYYIVSA-N
MW513.54 g/mol
LogP6.11
Rot. Bonds5

About (3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide

(3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide (PubChem CID 92997150) has the molecular formula C28H27F4N3O2 and a molecular weight of 513.54 g/mol. Its IUPAC name is (3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
PubChem CID92997150
Molecular FormulaC28H27F4N3O2
Molecular Weight513.54 g/mol
Exact Mass513.20
IUPAC Name(3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
SMILESCc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CN(C(=O)Nc3ccccc3)C2)ccc1F
InChIInChI=1S/C28H27F4N3O2/c1-18-12-20(10-11-25(18)29)21-14-22(17-35(16-21)27(37)34-24-8-3-2-4-9-24)26(36)33-15-19-6-5-7-23(13-19)28(30,31)32/h2-13,21-22H,14-17H2,1H3,(H,33,36)(H,34,37)/t21-,22+/m0/s1
InChIKeyQTBQQADDDAMDJU-FCHUYYIVSA-N
XLogP6.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.54
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92996611
(3R,5S)-1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 92996923
(3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996947
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848
(3R,5R)-3-N-(1,3-benzodioxol-5-ylmethyl)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 92997174
1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
CID 42865494
(3S,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[(1R)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 129420900
(3R,5R)-1-(cyclopentanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92996862
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 42866502
5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 42869336
1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46067504

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide (CID 92997150) is (3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide is Cc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CN(C(=O)Nc3ccccc3)C2)ccc1F.
What is the InChIKey of (3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The InChIKey is QTBQQADDDAMDJU-FCHUYYIVSA-N. The full InChI is InChI=1S/C28H27F4N3O2/c1-18-12-20(10-11-25(18)29)21-14-22(17-35(16-21)27(37)34-24-8-3-2-4-9-24)26(36)33-15-19-6-5-7-23(13-19)28(30,31)32/h2-13,21-22H,14-17H2,1H3,(H,33,36)(H,34,37)/t21-,22+/m0/s1.
What are the key properties of (3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
(3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide has a molecular weight of 513.54 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 92997150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).