N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

C17H23F3N4O — CID 56593003

IUPACN-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H23F3N4O/c18-17(19,20)14-6-9-21-16(23-14)24-10-7-12(8-11-24)15(25)22-13-4-2-1-3-5-13/h6,9,12-13H,1-5,7-8,10-11H2,(H,22,25)
InChIKeyGIVVNIQVZXSFNX-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.16
Rot. Bonds3

About N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 56593003) has the molecular formula C17H23F3N4O and a molecular weight of 356.39 g/mol. Its IUPAC name is N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID56593003
Molecular FormulaC17H23F3N4O
Molecular Weight356.39 g/mol
Exact Mass356.18
IUPAC NameN-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H23F3N4O/c18-17(19,20)14-6-9-21-16(23-14)24-10-7-12(8-11-24)15(25)22-13-4-2-1-3-5-13/h6,9,12-13H,1-5,7-8,10-11H2,(H,22,25)
InChIKeyGIVVNIQVZXSFNX-UHFFFAOYSA-N
XLogP3.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclohexyl-1-(pyrimidin-2-YL)piperidine-4-carboxamide
CID 24792244
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
US11572374, Example 27-2
CID 167844914
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 646431
N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809779
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809845
N-cyclooctyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809897
1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 2777795
1-(4-Methyl-2-pyrimidinyl)-4-piperidinecarboxamide
CID 91406466
US11572374, Example 1-93
CID 162690627
US11572374, Example 27-3
CID 167844915

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 56593003) is N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is GIVVNIQVZXSFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O/c18-17(19,20)14-6-9-21-16(23-14)24-10-7-12(8-11-24)15(25)22-13-4-2-1-3-5-13/h6,9,12-13H,1-5,7-8,10-11H2,(H,22,25).
What are the key properties of N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 56593003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).