1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one

C21H24N2O2 — CID 18121411

IUPAC1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-17-7-9-18(10-8-17)11-12-20(24)22-13-15-23(16-14-22)21(25)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyQGYZJTMWCWEJSN-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one

1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one (PubChem CID 18121411) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
PubChem CID18121411
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-17-7-9-18(10-8-17)11-12-20(24)22-13-15-23(16-14-22)21(25)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyQGYZJTMWCWEJSN-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
3-(4-methylphenyl)-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544301
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
3-(4-methylphenyl)-1-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547483
3-(4-methylphenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798846
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427
1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108547863
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 39570966
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866980
1-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110802741
3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 2756480

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one (CID 18121411) is 1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one is Cc1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one?
The InChIKey is QGYZJTMWCWEJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-17-7-9-18(10-8-17)11-12-20(24)22-13-15-23(16-14-22)21(25)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one?
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one has a molecular weight of 336.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 18121411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).