N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C12H15F3N4O — CID 128858526

IUPACN-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccnnc1)N1CCCC(CC(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)6-9-2-1-5-19(8-9)11(20)18-10-3-4-16-17-7-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,18,20)
InChIKeyXCBZEPNKYOUFRS-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.67
Rot. Bonds2

About N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 128858526) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID128858526
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC NameN-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccnnc1)N1CCCC(CC(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)6-9-2-1-5-19(8-9)11(20)18-10-3-4-16-17-7-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,18,20)
InChIKeyXCBZEPNKYOUFRS-UHFFFAOYSA-N
XLogP2.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-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-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 128858526) is N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(Nc1ccnnc1)N1CCCC(CC(F)(F)F)C1.
What is the InChIKey of N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is XCBZEPNKYOUFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)6-9-2-1-5-19(8-9)11(20)18-10-3-4-16-17-7-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,18,20).
What are the key properties of N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-4-yl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 128858526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).