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

C23H24F4N2O2 — CID 92996611

IUPAC(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](c2ccc(F)c(C)c2)C1
InChIInChI=1S/C23H24F4N2O2/c1-14-8-17(6-7-21(14)24)18-10-19(13-29(12-18)15(2)30)22(31)28-11-16-4-3-5-20(9-16)23(25,26)27/h3-9,18-19H,10-13H2,1-2H3,(H,28,31)/t18-,19-/m0/s1
InChIKeyGAJXHHHYLQEAKN-OALUTQOASA-N
MW436.45 g/mol
LogP4.42
Rot. Bonds4

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

(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 92996611) has the molecular formula C23H24F4N2O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is (3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID92996611
Molecular FormulaC23H24F4N2O2
Molecular Weight436.45 g/mol
Exact Mass436.18
IUPAC Name(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](c2ccc(F)c(C)c2)C1
InChIInChI=1S/C23H24F4N2O2/c1-14-8-17(6-7-21(14)24)18-10-19(13-29(12-18)15(2)30)22(31)28-11-16-4-3-5-20(9-16)23(25,26)27/h3-9,18-19H,10-13H2,1-2H3,(H,28,31)/t18-,19-/m0/s1
InChIKeyGAJXHHHYLQEAKN-OALUTQOASA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 92997150
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848
(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,5R)-1-(cyclopentanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92996862
(3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 92996817
(3R,5R)-3-N-(1,3-benzodioxol-5-ylmethyl)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 92997174
1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 42866502
(3S,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[(1R)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 129420900
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46067504
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 92996611) is (3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CC(=O)N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](c2ccc(F)c(C)c2)C1.
What is the InChIKey of (3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GAJXHHHYLQEAKN-OALUTQOASA-N. The full InChI is InChI=1S/C23H24F4N2O2/c1-14-8-17(6-7-21(14)24)18-10-19(13-29(12-18)15(2)30)22(31)28-11-16-4-3-5-20(9-16)23(25,26)27/h3-9,18-19H,10-13H2,1-2H3,(H,28,31)/t18-,19-/m0/s1.
What are the key properties of (3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92996611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).