1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone

C16H21N5O2 — CID 171138674

IUPAC1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
SMILESCCN1CCN(C(=O)COc2ncn(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H21N5O2/c1-2-19-8-10-20(11-9-19)15(22)12-23-16-17-13-21(18-16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
InChIKeyJPWNAXCGFXEQJJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.81
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone

1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone (PubChem CID 171138674) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
PubChem CID171138674
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
SMILESCCN1CCN(C(=O)COc2ncn(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H21N5O2/c1-2-19-8-10-20(11-9-19)15(22)12-23-16-17-13-21(18-16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
InChIKeyJPWNAXCGFXEQJJ-UHFFFAOYSA-N
XLogP0.81
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138651
1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
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2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 1486531
1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086723
1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 56824387
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882325
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone
CID 100819889
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone
CID 110849961
N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide
CID 30129117

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone (CID 171138674) is 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone is CCN1CCN(C(=O)COc2ncn(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone?
The InChIKey is JPWNAXCGFXEQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-19-8-10-20(11-9-19)15(22)12-23-16-17-13-21(18-16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone has a molecular weight of 315.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone is sourced from PubChem (CID 171138674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).