1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one

C23H27N3O2 — CID 70762121

IUPAC1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
SMILESO=C(CCN1CCCC1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1
InChIInChI=1S/C23H27N3O2/c27-22(12-15-24-13-6-7-14-24)25-16-17-26(23(28)18-25)21-11-5-4-10-20(21)19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2
InChIKeySRPGFYPXAOKLSD-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.01
Rot. Bonds5

About 1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one

1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one (PubChem CID 70762121) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
PubChem CID70762121
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
SMILESO=C(CCN1CCCC1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1
InChIInChI=1S/C23H27N3O2/c27-22(12-15-24-13-6-7-14-24)25-16-17-26(23(28)18-25)21-11-5-4-10-20(21)19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2
InChIKeySRPGFYPXAOKLSD-UHFFFAOYSA-N
XLogP3.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one (CID 70762121) is 1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one is O=C(CCN1CCCC1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1.
What is the InChIKey of 1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one?
The InChIKey is SRPGFYPXAOKLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(12-15-24-13-6-7-14-24)25-16-17-26(23(28)18-25)21-11-5-4-10-20(21)19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2.
What are the key properties of 1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one?
1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 70762121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).