N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide

C15H24F3N5O — CID 119733455

IUPACN-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C15H24F3N5O/c1-3-4-9-22(10-15(16,17)18)14(24)13-11(2)23(21-20-13)12-5-7-19-8-6-12/h12,19H,3-10H2,1-2H3
InChIKeyRAXZIRWBVAAXQN-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.32
Rot. Bonds6

About N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide

N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide (PubChem CID 119733455) has the molecular formula C15H24F3N5O and a molecular weight of 347.39 g/mol. Its IUPAC name is N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
PubChem CID119733455
Molecular FormulaC15H24F3N5O
Molecular Weight347.39 g/mol
Exact Mass347.19
IUPAC NameN-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C15H24F3N5O/c1-3-4-9-22(10-15(16,17)18)14(24)13-11(2)23(21-20-13)12-5-7-19-8-6-12/h12,19H,3-10H2,1-2H3
InChIKeyRAXZIRWBVAAXQN-UHFFFAOYSA-N
XLogP2.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The IUPAC name of N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide (CID 119733455) is N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide.
What is the SMILES notation for N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The canonical SMILES for N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1nnn(C2CCNCC2)c1C.
What is the InChIKey of N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The InChIKey is RAXZIRWBVAAXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O/c1-3-4-9-22(10-15(16,17)18)14(24)13-11(2)23(21-20-13)12-5-7-19-8-6-12/h12,19H,3-10H2,1-2H3.
What are the key properties of N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide is sourced from PubChem (CID 119733455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).