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

C14H17N5O2 — CID 67980822

IUPAC1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-n2ccnn2)cc1)N1CCNCC1
InChIInChI=1S/C14H17N5O2/c20-14(18-8-5-15-6-9-18)11-21-13-3-1-12(2-4-13)19-10-7-16-17-19/h1-4,7,10,15H,5-6,8-9,11H2
InChIKeyXJSSNHAMNAELRS-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.08
Rot. Bonds4

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

1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone (PubChem CID 67980822) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone
PubChem CID67980822
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-n2ccnn2)cc1)N1CCNCC1
InChIInChI=1S/C14H17N5O2/c20-14(18-8-5-15-6-9-18)11-21-13-3-1-12(2-4-13)19-10-7-16-17-19/h1-4,7,10,15H,5-6,8-9,11H2
InChIKeyXJSSNHAMNAELRS-UHFFFAOYSA-N
XLogP0.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
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CID 119415956
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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone?
The IUPAC name of 1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone (CID 67980822) is 1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone is O=C(COc1ccc(-n2ccnn2)cc1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone?
The InChIKey is XJSSNHAMNAELRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-14(18-8-5-15-6-9-18)11-21-13-3-1-12(2-4-13)19-10-7-16-17-19/h1-4,7,10,15H,5-6,8-9,11H2.
What are the key properties of 1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone?
1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone has a molecular weight of 287.32 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone is sourced from PubChem (CID 67980822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).