2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone

C23H23N3O2 — CID 3236541

IUPAC2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(c1ccccc1)c1cccn1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c27-22(25-16-14-24(15-17-25)20-10-5-2-6-11-20)18-26-13-7-12-21(26)23(28)19-8-3-1-4-9-19/h1-13H,14-18H2
InChIKeyVJGLHLGZWDBMHV-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.07
Rot. Bonds5

About 2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 3236541) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID3236541
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(c1ccccc1)c1cccn1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c27-22(25-16-14-24(15-17-25)20-10-5-2-6-11-20)18-26-13-7-12-21(26)23(28)19-8-3-1-4-9-19/h1-13H,14-18H2
InChIKeyVJGLHLGZWDBMHV-UHFFFAOYSA-N
XLogP3.07
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 3236541) is 2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(c1ccccc1)c1cccn1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is VJGLHLGZWDBMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(25-16-14-24(15-17-25)20-10-5-2-6-11-20)18-26-13-7-12-21(26)23(28)19-8-3-1-4-9-19/h1-13H,14-18H2.
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 373.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 3236541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).