1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one

C32H30N2O2 — CID 10050584

IUPAC1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)C(=O)C1
InChIInChI=1S/C32H30N2O2/c35-30(23-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33-21-22-34(31(36)24-33)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29,32H,21-24H2
InChIKeyXWJCWOICXJFXAF-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.67
Rot. Bonds7

About 1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one

1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one (PubChem CID 10050584) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is 1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one
PubChem CID10050584
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC Name1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)C(=O)C1
InChIInChI=1S/C32H30N2O2/c35-30(23-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33-21-22-34(31(36)24-33)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29,32H,21-24H2
InChIKeyXWJCWOICXJFXAF-UHFFFAOYSA-N
XLogP5.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one?
The IUPAC name of 1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one (CID 10050584) is 1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)C(=O)C1.
What is the InChIKey of 1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one?
The InChIKey is XWJCWOICXJFXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2/c35-30(23-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33-21-22-34(31(36)24-33)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29,32H,21-24H2.
What are the key properties of 1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one?
1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one has a molecular weight of 474.60 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(3,3-diphenylpropanoyl)piperazin-2-one is sourced from PubChem (CID 10050584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).