2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide

C14H17F3N4O2 — CID 127462942

IUPAC2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCc2cn[nH]c2C1)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)11-4-3-9(13(23)20-11)12(22)19-8-2-1-7-6-18-21-10(7)5-8/h6,8-9,11H,1-5H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyZAYXTRLYLQCHDY-UHFFFAOYSA-N
MW330.31 g/mol
LogP0.84
Rot. Bonds2

About 2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide

2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 127462942) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID127462942
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCc2cn[nH]c2C1)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)11-4-3-9(13(23)20-11)12(22)19-8-2-1-7-6-18-21-10(7)5-8/h6,8-9,11H,1-5H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyZAYXTRLYLQCHDY-UHFFFAOYSA-N
XLogP0.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide (CID 127462942) is 2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(NC1CCc2cn[nH]c2C1)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of 2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is ZAYXTRLYLQCHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c15-14(16,17)11-4-3-9(13(23)20-11)12(22)19-8-2-1-7-6-18-21-10(7)5-8/h6,8-9,11H,1-5H2,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of 2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 127462942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).