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

C21H21F3N6O2 — CID 56764915

IUPAC1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ncn1
InChIInChI=1S/C21H21F3N6O2/c1-14-25-8-11-30(14)19-12-18(26-13-27-19)29-9-6-15(7-10-29)20(31)28-16-2-4-17(5-3-16)32-21(22,23)24/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,28,31)
InChIKeyFHBVWJHZJOMARJ-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.72
Rot. Bonds5

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

1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 56764915) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID56764915
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ncn1
InChIInChI=1S/C21H21F3N6O2/c1-14-25-8-11-30(14)19-12-18(26-13-27-19)29-9-6-15(7-10-29)20(31)28-16-2-4-17(5-3-16)32-21(22,23)24/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,28,31)
InChIKeyFHBVWJHZJOMARJ-UHFFFAOYSA-N
XLogP3.72
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 56764915) is 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is Cc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ncn1.
What is the InChIKey of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is FHBVWJHZJOMARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-14-25-8-11-30(14)19-12-18(26-13-27-19)29-9-6-15(7-10-29)20(31)28-16-2-4-17(5-3-16)32-21(22,23)24/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,28,31).
What are the key properties of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 3.72, 5 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-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 56764915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).