1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one

C25H32N2O2 — CID 10363136

IUPAC1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one
SMILESO=C(CN1CCN(CCc2ccccc2)CC1)C(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C25H32N2O2/c28-24(25(29,23-12-7-13-23)22-10-5-2-6-11-22)20-27-18-16-26(17-19-27)15-14-21-8-3-1-4-9-21/h1-6,8-11,23,29H,7,12-20H2
InChIKeyJSXGZWZYRXLLHZ-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.10
Rot. Bonds8

About 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one

1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one (PubChem CID 10363136) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one
PubChem CID10363136
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one
SMILESO=C(CN1CCN(CCc2ccccc2)CC1)C(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C25H32N2O2/c28-24(25(29,23-12-7-13-23)22-10-5-2-6-11-22)20-27-18-16-26(17-19-27)15-14-21-8-3-1-4-9-21/h1-6,8-11,23,29H,7,12-20H2
InChIKeyJSXGZWZYRXLLHZ-UHFFFAOYSA-N
XLogP3.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one?
The IUPAC name of 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one (CID 10363136) is 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one is O=C(CN1CCN(CCc2ccccc2)CC1)C(O)(c1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one?
The InChIKey is JSXGZWZYRXLLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c28-24(25(29,23-12-7-13-23)22-10-5-2-6-11-22)20-27-18-16-26(17-19-27)15-14-21-8-3-1-4-9-21/h1-6,8-11,23,29H,7,12-20H2.
What are the key properties of 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one?
1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one has a molecular weight of 392.54 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one is sourced from PubChem (CID 10363136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).