2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone

C15H18N4O2 — CID 86265088

IUPAC2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C15H18N4O2/c20-15(12-21-14-4-2-1-3-5-14)18-9-6-13(7-10-18)19-11-8-16-17-19/h1-5,8,11,13H,6-7,9-10,12H2
InChIKeyFBOXZNYENAIEMT-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.52
Rot. Bonds4

About 2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone

2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 86265088) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
PubChem CID86265088
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C15H18N4O2/c20-15(12-21-14-4-2-1-3-5-14)18-9-6-13(7-10-18)19-11-8-16-17-19/h1-5,8,11,13H,6-7,9-10,12H2
InChIKeyFBOXZNYENAIEMT-UHFFFAOYSA-N
XLogP1.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone (CID 86265088) is 2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCC(n2ccnn2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is FBOXZNYENAIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(12-21-14-4-2-1-3-5-14)18-9-6-13(7-10-18)19-11-8-16-17-19/h1-5,8,11,13H,6-7,9-10,12H2.
What are the key properties of 2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86265088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).