4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one

C24H30N2O — CID 55771645

IUPAC4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
SMILESCc1ccc(CCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O/c1-21-12-14-23(15-13-21)9-5-11-24(27)26-19-17-25(18-20-26)16-6-10-22-7-3-2-4-8-22/h2-4,6-8,10,12-15H,5,9,11,16-20H2,1H3/b10-6+
InChIKeyILGLSTIRZHBACV-UXBLZVDNSA-N
MW362.52 g/mol
LogP4.18
Rot. Bonds7

About 4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one

4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one (PubChem CID 55771645) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
PubChem CID55771645
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
SMILESCc1ccc(CCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O/c1-21-12-14-23(15-13-21)9-5-11-24(27)26-19-17-25(18-20-26)16-6-10-22-7-3-2-4-8-22/h2-4,6-8,10,12-15H,5,9,11,16-20H2,1H3/b10-6+
InChIKeyILGLSTIRZHBACV-UXBLZVDNSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077
2-(4-methylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994575
N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 3805958
N-[(4-methylphenyl)methyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984831
3-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 4116088
4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 6468754
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
1-(2-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione
CID 110414418
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(2,4,6-trimethylanilino)propan-1-one
CID 109029991
1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one
CID 71829237

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one (CID 55771645) is 4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one is Cc1ccc(CCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one?
The InChIKey is ILGLSTIRZHBACV-UXBLZVDNSA-N. The full InChI is InChI=1S/C24H30N2O/c1-21-12-14-23(15-13-21)9-5-11-24(27)26-19-17-25(18-20-26)16-6-10-22-7-3-2-4-8-22/h2-4,6-8,10,12-15H,5,9,11,16-20H2,1H3/b10-6+.
What are the key properties of 4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one?
4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one has a molecular weight of 362.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 55771645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).