1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one

C23H28N2O2 — CID 10067361

IUPAC1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one
SMILESO=C(CN1CCN(c2ccccc2)CC1)C(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C23H28N2O2/c26-22(23(27,20-10-7-11-20)19-8-3-1-4-9-19)18-24-14-16-25(17-15-24)21-12-5-2-6-13-21/h1-6,8-9,12-13,20,27H,7,10-11,14-18H2
InChIKeyWTUBJFQTRKYXPC-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.07
Rot. Bonds6

About 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one

1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one (PubChem CID 10067361) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one
PubChem CID10067361
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one
SMILESO=C(CN1CCN(c2ccccc2)CC1)C(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C23H28N2O2/c26-22(23(27,20-10-7-11-20)19-8-3-1-4-9-19)18-24-14-16-25(17-15-24)21-12-5-2-6-13-21/h1-6,8-9,12-13,20,27H,7,10-11,14-18H2
InChIKeyWTUBJFQTRKYXPC-UHFFFAOYSA-N
XLogP3.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Npc 14695
CID 192358
3-(4-Benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one
CID 10340952
3-(4-Benzylpiperazin-1-yl)-1-cyclohexyl-1-hydroxy-1-phenylpropan-2-one
CID 10431483
1-Cyclobutyl-1-hydroxy-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one
CID 10000610
1-Cyclobutyl-1-hydroxy-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one
CID 10023442
3-(4-Benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one
CID 10023443
3-(4-Benzylpiperazin-1-yl)-1-cyclopropyl-1-hydroxy-1-phenylpropan-2-one
CID 10248228
1-Cyclobutyl-1-hydroxy-3-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one
CID 10320102
1-Cyclobutyl-1-hydroxy-1-phenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-one
CID 10363136
1-(4-Benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one
CID 10407430
1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-one
CID 44371179
4-Hydroxy-3-(4-phenylpiperazin-1-yl)naphthalene-1,2-dione
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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one (CID 10067361) is 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one is O=C(CN1CCN(c2ccccc2)CC1)C(O)(c1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one?
The InChIKey is WTUBJFQTRKYXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22(23(27,20-10-7-11-20)19-8-3-1-4-9-19)18-24-14-16-25(17-15-24)21-12-5-2-6-13-21/h1-6,8-9,12-13,20,27H,7,10-11,14-18H2.
What are the key properties of 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one?
1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.07, 6 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-phenylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 10067361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).