N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C21H27F4N3O2 — CID 75405098

IUPACN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C21H27F4N3O2/c22-17-9-8-16(11-18(17)27-19(29)14-5-2-1-3-6-14)26-20(30)15-7-4-10-28(12-15)13-21(23,24)25/h8-9,11,14-15H,1-7,10,12-13H2,(H,26,30)(H,27,29)
InChIKeyIIWLLAIASFMDON-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.56
Rot. Bonds5

About N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 75405098) has the molecular formula C21H27F4N3O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID75405098
Molecular FormulaC21H27F4N3O2
Molecular Weight429.46 g/mol
Exact Mass429.20
IUPAC NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C21H27F4N3O2/c22-17-9-8-16(11-18(17)27-19(29)14-5-2-1-3-6-14)26-20(30)15-7-4-10-28(12-15)13-21(23,24)25/h8-9,11,14-15H,1-7,10,12-13H2,(H,26,30)(H,27,29)
InChIKeyIIWLLAIASFMDON-UHFFFAOYSA-N
XLogP4.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97149101
N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497020
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124627006
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 119282895
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 127722832

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 75405098) is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is IIWLLAIASFMDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F4N3O2/c22-17-9-8-16(11-18(17)27-19(29)14-5-2-1-3-6-14)26-20(30)15-7-4-10-28(12-15)13-21(23,24)25/h8-9,11,14-15H,1-7,10,12-13H2,(H,26,30)(H,27,29).
What are the key properties of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 75405098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).