1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide

C17H17F3N4O2 — CID 51361154

IUPAC1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)C1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)16-22-12(10-5-2-1-3-6-10)13(23-16)15(26)24-8-4-7-11(9-24)14(21)25/h1-3,5-6,11H,4,7-9H2,(H2,21,25)(H,22,23)
InChIKeyXAHVPJYARIVNCX-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.43
Rot. Bonds3

About 1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide

1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide (PubChem CID 51361154) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide
PubChem CID51361154
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)C1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)16-22-12(10-5-2-1-3-6-10)13(23-16)15(26)24-8-4-7-11(9-24)14(21)25/h1-3,5-6,11H,4,7-9H2,(H2,21,25)(H,22,23)
InChIKeyXAHVPJYARIVNCX-UHFFFAOYSA-N
XLogP2.43
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide (CID 51361154) is 1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)C1.
What is the InChIKey of 1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide?
The InChIKey is XAHVPJYARIVNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)16-22-12(10-5-2-1-3-6-10)13(23-16)15(26)24-8-4-7-11(9-24)14(21)25/h1-3,5-6,11H,4,7-9H2,(H2,21,25)(H,22,23).
What are the key properties of 1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide?
1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 51361154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).