1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide

C22H23F3N6O2 — CID 90520144

IUPAC1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)ncn1
InChIInChI=1S/C22H23F3N6O2/c1-15-26-8-11-31(15)20-12-19(28-14-29-20)30-9-6-16(7-10-30)21(32)27-13-17-4-2-3-5-18(17)33-22(23,24)25/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,27,32)
InChIKeyPOWLMMKZNCCTFW-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.40
Rot. Bonds6

About 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide

1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 90520144) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID90520144
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC Name1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)ncn1
InChIInChI=1S/C22H23F3N6O2/c1-15-26-8-11-31(15)20-12-19(28-14-29-20)30-9-6-16(7-10-30)21(32)27-13-17-4-2-3-5-18(17)33-22(23,24)25/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,27,32)
InChIKeyPOWLMMKZNCCTFW-UHFFFAOYSA-N
XLogP3.40
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520046
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 121168465
N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519982
1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 121104135
1-(6-methyl-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90611413
N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519984
N-(4-chlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520063
methyl 4-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90520001
N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118870
N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520131
N-(2,4-dichlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520083

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide (CID 90520144) is 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide is Cc1nccn1-c1cc(N2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)ncn1.
What is the InChIKey of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is POWLMMKZNCCTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-15-26-8-11-31(15)20-12-19(28-14-29-20)30-9-6-16(7-10-30)21(32)27-13-17-4-2-3-5-18(17)33-22(23,24)25/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,27,32).
What are the key properties of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 90520144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).