N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide

C15H15F3N4O2 — CID 126774373

IUPACN-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCN(CC(F)(F)F)C1=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)8-22-7-3-6-11(14(22)24)19-13(23)12-9-4-1-2-5-10(9)20-21-12/h1-2,4-5,11H,3,6-8H2,(H,19,23)(H,20,21)
InChIKeyJRTNXQHXJGQHRA-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.85
Rot. Bonds3

About N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide

N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide (PubChem CID 126774373) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide
PubChem CID126774373
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCN(CC(F)(F)F)C1=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)8-22-7-3-6-11(14(22)24)19-13(23)12-9-4-1-2-5-10(9)20-21-12/h1-2,4-5,11H,3,6-8H2,(H,19,23)(H,20,21)
InChIKeyJRTNXQHXJGQHRA-UHFFFAOYSA-N
XLogP1.85
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide (CID 126774373) is N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide is O=C(NC1CCCN(CC(F)(F)F)C1=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is JRTNXQHXJGQHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)8-22-7-3-6-11(14(22)24)19-13(23)12-9-4-1-2-5-10(9)20-21-12/h1-2,4-5,11H,3,6-8H2,(H,19,23)(H,20,21).
What are the key properties of N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide?
N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 126774373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).