1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C20H19F3N6O — CID 90520307

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)15-1-3-16(4-2-15)27-19(30)14-5-8-28(9-6-14)17-11-18(26-12-25-17)29-10-7-24-13-29/h1-4,7,10-14H,5-6,8-9H2,(H,27,30)
InChIKeyBQUXPJAIEGSQMV-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.54
Rot. Bonds4

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 90520307) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID90520307
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)15-1-3-16(4-2-15)27-19(30)14-5-8-28(9-6-14)17-11-18(26-12-25-17)29-10-7-24-13-29/h1-4,7,10-14H,5-6,8-9H2,(H,27,30)
InChIKeyBQUXPJAIEGSQMV-UHFFFAOYSA-N
XLogP3.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90600327
N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520304
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520287
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 90520395
N-[2-(4-fluorophenyl)ethyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520435
N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100942
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 119100946
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
N-(5-chloro-2-cyanophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520351

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 90520307) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BQUXPJAIEGSQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c21-20(22,23)15-1-3-16(4-2-15)27-19(30)14-5-8-28(9-6-14)17-11-18(26-12-25-17)29-10-7-24-13-29/h1-4,7,10-14H,5-6,8-9H2,(H,27,30).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 90520307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).