1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide

C20H24F3N5O2 — CID 71855700

IUPAC1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1nc(C(=O)N2CC(C(N)=O)CCC2C(F)(F)F)nn1-c1ccccc1C(C)C
InChIInChI=1S/C20H24F3N5O2/c1-11(2)14-6-4-5-7-15(14)28-12(3)25-18(26-28)19(30)27-10-13(17(24)29)8-9-16(27)20(21,22)23/h4-7,11,13,16H,8-10H2,1-3H3,(H2,24,29)
InChIKeyJCISDPFDHDIYPI-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.97
Rot. Bonds4

About 1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide

1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 71855700) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID71855700
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1nc(C(=O)N2CC(C(N)=O)CCC2C(F)(F)F)nn1-c1ccccc1C(C)C
InChIInChI=1S/C20H24F3N5O2/c1-11(2)14-6-4-5-7-15(14)28-12(3)25-18(26-28)19(30)27-10-13(17(24)29)8-9-16(27)20(21,22)23/h4-7,11,13,16H,8-10H2,1-3H3,(H2,24,29)
InChIKeyJCISDPFDHDIYPI-UHFFFAOYSA-N
XLogP2.97
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide (CID 71855700) is 1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide is Cc1nc(C(=O)N2CC(C(N)=O)CCC2C(F)(F)F)nn1-c1ccccc1C(C)C.
What is the InChIKey of 1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is JCISDPFDHDIYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-11(2)14-6-4-5-7-15(14)28-12(3)25-18(26-28)19(30)27-10-13(17(24)29)8-9-16(27)20(21,22)23/h4-7,11,13,16H,8-10H2,1-3H3,(H2,24,29).
What are the key properties of 1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71855700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).