4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C20H18F4N4O2 — CID 11281628

IUPAC4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H18F4N4O2/c21-14-10-12(9-13(11-14)20(22,23)24)19(30)5-7-28(8-6-19)18(29)25-17-15-3-1-2-4-16(15)26-27-17/h1-4,9-11,30H,5-8H2,(H2,25,26,27,29)
InChIKeyIVZRZOXHWHIBPY-UHFFFAOYSA-N
MW422.38 g/mol
LogP4.24
Rot. Bonds2

About 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11281628) has the molecular formula C20H18F4N4O2 and a molecular weight of 422.38 g/mol. Its IUPAC name is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11281628
Molecular FormulaC20H18F4N4O2
Molecular Weight422.38 g/mol
Exact Mass422.14
IUPAC Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H18F4N4O2/c21-14-10-12(9-13(11-14)20(22,23)24)19(30)5-7-28(8-6-19)18(29)25-17-15-3-1-2-4-16(15)26-27-17/h1-4,9-11,30H,5-8H2,(H2,25,26,27,29)
InChIKeyIVZRZOXHWHIBPY-UHFFFAOYSA-N
XLogP4.24
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11281628) is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is IVZRZOXHWHIBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O2/c21-14-10-12(9-13(11-14)20(22,23)24)19(30)5-7-28(8-6-19)18(29)25-17-15-3-1-2-4-16(15)26-27-17/h1-4,9-11,30H,5-8H2,(H2,25,26,27,29).
What are the key properties of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 422.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11281628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).