2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

C26H26N2O3 — CID 41162791

IUPAC2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C26H26N2O3/c1-20-6-5-9-23(18-20)27-14-16-28(17-15-27)25(29)19-31-24-12-10-22(11-13-24)26(30)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3
InChIKeyGSLWTBXWJQMQRM-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.95
Rot. Bonds6

About 2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 41162791) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID41162791
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C26H26N2O3/c1-20-6-5-9-23(18-20)27-14-16-28(17-15-27)25(29)19-31-24-12-10-22(11-13-24)26(30)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3
InChIKeyGSLWTBXWJQMQRM-UHFFFAOYSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120422
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone
CID 112978210
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110756055
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110294235
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 8910389
2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 27041250
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
(E)-1-(4-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one
CID 5466905
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
2-phenoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 3554555

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 41162791) is 2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c1.
What is the InChIKey of 2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is GSLWTBXWJQMQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-20-6-5-9-23(18-20)27-14-16-28(17-15-27)25(29)19-31-24-12-10-22(11-13-24)26(30)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3.
What are the key properties of 2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 414.51 g/mol, XLogP of 3.95, 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-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 41162791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).