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

C27H28N2O — CID 2838766

IUPAC2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C27H28N2O/c30-27(26(24-14-6-2-7-15-24)25-16-8-3-9-17-25)29-21-19-28(20-22-29)18-10-13-23-11-4-1-5-12-23/h1-17,26H,18-22H2
InChIKeyKKLUWNBNMGQBKI-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.68
Rot. Bonds6

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

2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone (PubChem CID 2838766) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is 2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
PubChem CID2838766
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C27H28N2O/c30-27(26(24-14-6-2-7-15-24)25-16-8-3-9-17-25)29-21-19-28(20-22-29)18-10-13-23-11-4-1-5-12-23/h1-17,26H,18-22H2
InChIKeyKKLUWNBNMGQBKI-UHFFFAOYSA-N
XLogP4.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110414400
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
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
CID 6305993
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 6085432
2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 2301572
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone (CID 2838766) is 2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
The InChIKey is KKLUWNBNMGQBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O/c30-27(26(24-14-6-2-7-15-24)25-16-8-3-9-17-25)29-21-19-28(20-22-29)18-10-13-23-11-4-1-5-12-23/h1-17,26H,18-22H2.
What are the key properties of 2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone?
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone has a molecular weight of 396.53 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2838766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).