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

C22H26N2O3 — CID 59372963

IUPAC1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-18(25)24-15-13-23(14-16-24)12-5-17-27-21-10-8-20(9-11-21)22(26)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3
InChIKeySDADABQJVZBJCM-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.85
Rot. Bonds7

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

1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone (PubChem CID 59372963) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
PubChem CID59372963
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-18(25)24-15-13-23(14-16-24)12-5-17-27-21-10-8-20(9-11-21)22(26)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3
InChIKeySDADABQJVZBJCM-UHFFFAOYSA-N
XLogP2.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate
CID 59373082
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
4-[2-(4-acetylpiperazin-1-yl)ethoxy]benzenecarbothioamide
CID 43290386
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone;hydrochloride
CID 53231551
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
CID 53231345
[(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 70034589
1-[4-[4-(3-phenoxypropyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9044143
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine
CID 142171815

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone (CID 59372963) is 1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone?
The InChIKey is SDADABQJVZBJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-18(25)24-15-13-23(14-16-24)12-5-17-27-21-10-8-20(9-11-21)22(26)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3.
What are the key properties of 1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone?
1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone has a molecular weight of 366.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59372963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).