3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide

C26H27F3N4O3 — CID 42646710

IUPAC3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC(Cc2ccccc2)(C(=O)NCCc2ncco2)C1
InChIInChI=1S/C26H27F3N4O3/c27-26(28,29)20-7-9-21(10-8-20)32-24(35)33-15-4-12-25(18-33,17-19-5-2-1-3-6-19)23(34)31-13-11-22-30-14-16-36-22/h1-3,5-10,14,16H,4,11-13,15,17-18H2,(H,31,34)(H,32,35)
InChIKeyWDPXRZHUBPZAOV-UHFFFAOYSA-N
MW500.52 g/mol
LogP4.91
Rot. Bonds7

About 3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide

3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 42646710) has the molecular formula C26H27F3N4O3 and a molecular weight of 500.52 g/mol. Its IUPAC name is 3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID42646710
Molecular FormulaC26H27F3N4O3
Molecular Weight500.52 g/mol
Exact Mass500.20
IUPAC Name3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC(Cc2ccccc2)(C(=O)NCCc2ncco2)C1
InChIInChI=1S/C26H27F3N4O3/c27-26(28,29)20-7-9-21(10-8-20)32-24(35)33-15-4-12-25(18-33,17-19-5-2-1-3-6-19)23(34)31-13-11-22-30-14-16-36-22/h1-3,5-10,14,16H,4,11-13,15,17-18H2,(H,31,34)(H,32,35)
InChIKeyWDPXRZHUBPZAOV-UHFFFAOYSA-N
XLogP4.91
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclopropanecarboxylic acid 3-fluoro-4-[4-(oxazol-2-yl-phenyl-methyl)-piperazin-1-yl]-benzylamide
CID 69095239
3-benzyl-3-[[2-(1,3-oxazol-2-yl)ethylamino]oxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 89215287
3-fluoro-N-(2-isocyanopropan-2-yl)-4-[3-(1,3-oxazol-2-yl)propyl]aniline
CID 123754157
3-Ethyl-1-[3-fluoro-4-[4-[isocyano(1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenyl]pentan-2-one
CID 158817229
4-(4-fluorophenyl)-N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]piperazine-1-carboxamide
CID 166241267
N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide
CID 54341991
1-[4-[2-[3-Methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea
CID 141016979
1-[4-[2-[4-Methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea
CID 141016992
1-[4-[2-[4-Amino-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea
CID 141017005
1-[4-[2-[2-Methyl-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]-3-(2-methylphenyl)urea
CID 141017006
2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]-N-methylacetamide
CID 71982863
1-[3-(Oxan-4-yl)phenyl]-3-[1-(1,3-oxazol-2-yl)-2-phenylethyl]urea
CID 132321628

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide (CID 42646710) is 3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC(Cc2ccccc2)(C(=O)NCCc2ncco2)C1.
What is the InChIKey of 3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is WDPXRZHUBPZAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O3/c27-26(28,29)20-7-9-21(10-8-20)32-24(35)33-15-4-12-25(18-33,17-19-5-2-1-3-6-19)23(34)31-13-11-22-30-14-16-36-22/h1-3,5-10,14,16H,4,11-13,15,17-18H2,(H,31,34)(H,32,35).
What are the key properties of 3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 500.52 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-N-[2-(1,3-oxazol-2-yl)ethyl]-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 42646710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).