[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone

C14H14F3N5O2 — CID 128981886

IUPAC[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
SMILESO=C(c1ccncc1C(F)(F)F)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)10-6-18-4-2-9(10)12(23)22-5-1-3-13(24,8-22)11-7-19-21-20-11/h2,4,6-7,24H,1,3,5,8H2,(H,19,20,21)
InChIKeyLIPKPEPNEXGZHN-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.34
Rot. Bonds2

About [3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone

[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone (PubChem CID 128981886) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is [3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
PubChem CID128981886
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
SMILESO=C(c1ccncc1C(F)(F)F)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)10-6-18-4-2-9(10)12(23)22-5-1-3-13(24,8-22)11-7-19-21-20-11/h2,4,6-7,24H,1,3,5,8H2,(H,19,20,21)
InChIKeyLIPKPEPNEXGZHN-UHFFFAOYSA-N
XLogP1.34
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone?
The IUPAC name of [3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone (CID 128981886) is [3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone.
What is the SMILES notation for [3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone?
The canonical SMILES for [3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone is O=C(c1ccncc1C(F)(F)F)N1CCCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of [3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone?
The InChIKey is LIPKPEPNEXGZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)10-6-18-4-2-9(10)12(23)22-5-1-3-13(24,8-22)11-7-19-21-20-11/h2,4,6-7,24H,1,3,5,8H2,(H,19,20,21).
What are the key properties of [3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone?
[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone has a molecular weight of 341.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone is sourced from PubChem (CID 128981886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).