1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one

C21H24N2O3 — CID 18112386

IUPAC1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-16-8-10-19(11-9-16)26-17(2)20(24)22-12-14-23(15-13-22)21(25)18-6-4-3-5-7-18/h3-11,17H,12-15H2,1-2H3
InChIKeyBPSZJPCEHXQOJM-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.75
Rot. Bonds4

About 1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one

1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one (PubChem CID 18112386) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
PubChem CID18112386
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-16-8-10-19(11-9-16)26-17(2)20(24)22-12-14-23(15-13-22)21(25)18-6-4-3-5-7-18/h3-11,17H,12-15H2,1-2H3
InChIKeyBPSZJPCEHXQOJM-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108568972
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(2-bromo-4-methylphenoxy)propan-1-one
CID 78898422
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 167920139
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534102
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534667
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 17383685
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 24674832

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one (CID 18112386) is 1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one is Cc1ccc(OC(C)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one?
The InChIKey is BPSZJPCEHXQOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-8-10-19(11-9-16)26-17(2)20(24)22-12-14-23(15-13-22)21(25)18-6-4-3-5-7-18/h3-11,17H,12-15H2,1-2H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one?
1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one has a molecular weight of 352.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one is sourced from PubChem (CID 18112386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).