3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one

C23H28N2O2 — CID 10248228

IUPAC3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CC1
InChIInChI=1S/C23H28N2O2/c26-22(23(27,21-11-12-21)20-9-5-2-6-10-20)18-25-15-13-24(14-16-25)17-19-7-3-1-4-8-19/h1-10,21,27H,11-18H2
InChIKeyPZEMCHUXUQMTTJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.67
Rot. Bonds7

About 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one

3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one (PubChem CID 10248228) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one
PubChem CID10248228
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CC1
InChIInChI=1S/C23H28N2O2/c26-22(23(27,21-11-12-21)20-9-5-2-6-10-20)18-25-15-13-24(14-16-25)17-19-7-3-1-4-8-19/h1-10,21,27H,11-18H2
InChIKeyPZEMCHUXUQMTTJ-UHFFFAOYSA-N
XLogP2.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one (CID 10248228) is 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one is O=C(CN1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CC1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one?
The InChIKey is PZEMCHUXUQMTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22(23(27,21-11-12-21)20-9-5-2-6-10-20)18-25-15-13-24(14-16-25)17-19-7-3-1-4-8-19/h1-10,21,27H,11-18H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one?
3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one has a molecular weight of 364.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one is sourced from PubChem (CID 10248228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).