2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone

C17H22N4O2 — CID 91838919

IUPAC2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(CCc2cn[nH]c2)CC1
InChIInChI=1S/C17H22N4O2/c22-17(14-23-16-4-2-1-3-5-16)21-10-8-20(9-11-21)7-6-15-12-18-19-13-15/h1-5,12-13H,6-11,14H2,(H,18,19)
InChIKeyNIAGUDNQNDQCLE-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.18
Rot. Bonds6

About 2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone

2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 91838919) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID91838919
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(CCc2cn[nH]c2)CC1
InChIInChI=1S/C17H22N4O2/c22-17(14-23-16-4-2-1-3-5-16)21-10-8-20(9-11-21)7-6-15-12-18-19-13-15/h1-5,12-13H,6-11,14H2,(H,18,19)
InChIKeyNIAGUDNQNDQCLE-UHFFFAOYSA-N
XLogP1.18
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
1-[4-(3-methylbutyl)piperazin-1-yl]-2-phenoxyethanone
CID 47043100
2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
CID 59382114
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
CID 110602312
2-(4-chlorophenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984309
2-(3-methylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 17013748
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
2-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 135933349
1-(4-heptylpiperazin-1-yl)-3-(1H-pyrazol-4-yl)propan-1-one
CID 131933931
2-(3-chlorophenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984584

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone (CID 91838919) is 2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCN(CCc2cn[nH]c2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is NIAGUDNQNDQCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(14-23-16-4-2-1-3-5-16)21-10-8-20(9-11-21)7-6-15-12-18-19-13-15/h1-5,12-13H,6-11,14H2,(H,18,19).
What are the key properties of 2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone?
2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 91838919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).