2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone

C21H24N2O — CID 2839064

IUPAC2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21(18-20-10-5-2-6-11-20)23-16-14-22(15-17-23)13-7-12-19-8-3-1-4-9-19/h1-12H,13-18H2
InChIKeyFATMTRRBUGEQIZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.09
Rot. Bonds5

About 2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone

2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone (PubChem CID 2839064) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
PubChem CID2839064
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21(18-20-10-5-2-6-11-20)23-16-14-22(15-17-23)13-7-12-19-8-3-1-4-9-19/h1-12H,13-18H2
InChIKeyFATMTRRBUGEQIZ-UHFFFAOYSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 78804110
N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]phenyl]acetamide
CID 18104715
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
2-(3,4-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 6025296
1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 23770821
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]-3-pyrrol-1-ylpropan-1-one
CID 110688701
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
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
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone (CID 2839064) is 2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
The InChIKey is FATMTRRBUGEQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(18-20-10-5-2-6-11-20)23-16-14-22(15-17-23)13-7-12-19-8-3-1-4-9-19/h1-12H,13-18H2.
What are the key properties of 2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone has a molecular weight of 320.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2839064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).