2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone

C15H24N4O3 — CID 128981822

IUPAC2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(COC1CCCCC1)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C15H24N4O3/c20-14(10-22-12-5-2-1-3-6-12)19-8-4-7-15(21,11-19)13-9-16-18-17-13/h9,12,21H,1-8,10-11H2,(H,16,17,18)
InChIKeyFJZBODKRDDQOTE-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.96
Rot. Bonds4

About 2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone

2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 128981822) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone
PubChem CID128981822
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(COC1CCCCC1)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C15H24N4O3/c20-14(10-22-12-5-2-1-3-6-12)19-8-4-7-15(21,11-19)13-9-16-18-17-13/h9,12,21H,1-8,10-11H2,(H,16,17,18)
InChIKeyFJZBODKRDDQOTE-UHFFFAOYSA-N
XLogP0.96
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone (CID 128981822) is 2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone is O=C(COC1CCCCC1)N1CCCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of 2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is FJZBODKRDDQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c20-14(10-22-12-5-2-1-3-6-12)19-8-4-7-15(21,11-19)13-9-16-18-17-13/h9,12,21H,1-8,10-11H2,(H,16,17,18).
What are the key properties of 2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone?
2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 308.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 128981822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).