1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide

C20H26F3N3O2 — CID 55533928

IUPAC1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H26F3N3O2/c21-20(22,23)16-10-4-5-11-17(16)25-18(27)14-7-6-12-26(13-14)19(28)24-15-8-2-1-3-9-15/h1-3,8-9,14,16-17H,4-7,10-13H2,(H,24,28)(H,25,27)
InChIKeySZESQCVVIMOOTG-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.17
Rot. Bonds3

About 1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide

1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide (PubChem CID 55533928) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide
PubChem CID55533928
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H26F3N3O2/c21-20(22,23)16-10-4-5-11-17(16)25-18(27)14-7-6-12-26(13-14)19(28)24-15-8-2-1-3-9-15/h1-3,8-9,14,16-17H,4-7,10-13H2,(H,24,28)(H,25,27)
InChIKeySZESQCVVIMOOTG-UHFFFAOYSA-N
XLogP4.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 138002411
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55561482
(3S)-1-N-phenyl-3-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-1,3-dicarboxamide
CID 9081500
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 56523677
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide (CID 55533928) is 1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide is O=C(NC1CCCCC1C(F)(F)F)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide?
The InChIKey is SZESQCVVIMOOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c21-20(22,23)16-10-4-5-11-17(16)25-18(27)14-7-6-12-26(13-14)19(28)24-15-8-2-1-3-9-15/h1-3,8-9,14,16-17H,4-7,10-13H2,(H,24,28)(H,25,27).
What are the key properties of 1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide?
1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide has a molecular weight of 397.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-3-N-[2-(trifluoromethyl)cyclohexyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55533928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).