3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one

C20H23N3O — CID 3021875

IUPAC3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
SMILESO=C1NC(N2CCN(c3ccccc3)CC2)CC1c1ccccc1
InChIInChI=1S/C20H23N3O/c24-20-18(16-7-3-1-4-8-16)15-19(21-20)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,21,24)
InChIKeyJSIRECVRTDSTJG-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.44
Rot. Bonds3

About 3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one

3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one (PubChem CID 3021875) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
PubChem CID3021875
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
SMILESO=C1NC(N2CCN(c3ccccc3)CC2)CC1c1ccccc1
InChIInChI=1S/C20H23N3O/c24-20-18(16-7-3-1-4-8-16)15-19(21-20)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,21,24)
InChIKeyJSIRECVRTDSTJG-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one?
The IUPAC name of 3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one (CID 3021875) is 3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one is O=C1NC(N2CCN(c3ccccc3)CC2)CC1c1ccccc1.
What is the InChIKey of 3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one?
The InChIKey is JSIRECVRTDSTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20-18(16-7-3-1-4-8-16)15-19(21-20)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,21,24).
What are the key properties of 3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one?
3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one has a molecular weight of 321.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 3021875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).