2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one

C22H26N2O3 — CID 24674832

IUPAC2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)Oc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-3-23-13-15-24(16-14-23)22(26)17(2)27-20-11-9-19(10-12-20)21(25)18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3
InChIKeyVSRMMLFZFZOODV-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.85
Rot. Bonds6

About 2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one

2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 24674832) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID24674832
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)Oc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-3-23-13-15-24(16-14-23)22(26)17(2)27-20-11-9-19(10-12-20)21(25)18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3
InChIKeyVSRMMLFZFZOODV-UHFFFAOYSA-N
XLogP2.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9181761
1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 18112386
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498
N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133202386
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 27212390
2-(1,3-benzodioxol-5-yloxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45147871
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
(2R)-1-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95341869
(2S)-1-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95341872
2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one
CID 17375116
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
2-(4-phenylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 55606778

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 24674832) is 2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)C(C)Oc2ccc(C(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of 2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is VSRMMLFZFZOODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-23-13-15-24(16-14-23)22(26)17(2)27-20-11-9-19(10-12-20)21(25)18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3.
What are the key properties of 2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one?
2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 366.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 24674832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).