2-(4-benzoylpiperazin-1-yl)-1-phenylethanone

C19H20N2O2 — CID 3599210

IUPAC2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-18(16-7-3-1-4-8-16)15-20-11-13-21(14-12-20)19(23)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyNFSZFNROYAYLNT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.33
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone

2-(4-benzoylpiperazin-1-yl)-1-phenylethanone (PubChem CID 3599210) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
PubChem CID3599210
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-18(16-7-3-1-4-8-16)15-20-11-13-21(14-12-20)19(23)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyNFSZFNROYAYLNT-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
1-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)ethanone
CID 110368836
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
3-methyl-1-(4-phenacylpiperazin-1-yl)butan-1-one
CID 110366198
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
[4-(3-chloropropyl)piperazin-1-yl]-phenylmethanone
CID 53486748
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
CID 10339151
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone (CID 3599210) is 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone is O=C(CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone?
The InChIKey is NFSZFNROYAYLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(16-7-3-1-4-8-16)15-20-11-13-21(14-12-20)19(23)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone?
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone has a molecular weight of 308.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-1-phenylethanone is sourced from PubChem (CID 3599210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).