1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone

C22H26N2O2 — CID 110802073

IUPAC1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-17(2)19-10-8-18(9-11-19)16-21(25)23-12-14-24(15-13-23)22(26)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3
InChIKeyBWFYJMUCMSTYNF-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone

1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 110802073) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID110802073
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-17(2)19-10-8-18(9-11-19)16-21(25)23-12-14-24(15-13-23)22(26)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3
InChIKeyBWFYJMUCMSTYNF-UHFFFAOYSA-N
XLogP3.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 110815393
2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 108569229
2-(1-methylpyrrol-3-yl)-1-[4-(4-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110816466
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
1-[4-(2-phenylacetyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108534738
phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
CID 38031441
1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534759
1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one
CID 110352133
1-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545580
2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 110350418
1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534758
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone (CID 110802073) is 1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is BWFYJMUCMSTYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17(2)19-10-8-18(9-11-19)16-21(25)23-12-14-24(15-13-23)22(26)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone?
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 350.46 g/mol, XLogP of 3.34, 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)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 110802073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).