1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one

C23H33N3O3 — CID 10023882

IUPAC1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one
SMILESO=C(CN1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1)N1CCCC1
InChIInChI=1S/C23H33N3O3/c27-21(23(29,20-9-6-10-20)19-7-2-1-3-8-19)17-24-13-15-25(16-14-24)18-22(28)26-11-4-5-12-26/h1-3,7-8,20,29H,4-6,9-18H2
InChIKeyBORUOEOPZGNJRC-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.48
Rot. Bonds7

About 1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one

1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one (PubChem CID 10023882) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one
PubChem CID10023882
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one
SMILESO=C(CN1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1)N1CCCC1
InChIInChI=1S/C23H33N3O3/c27-21(23(29,20-9-6-10-20)19-7-2-1-3-8-19)17-24-13-15-25(16-14-24)18-22(28)26-11-4-5-12-26/h1-3,7-8,20,29H,4-6,9-18H2
InChIKeyBORUOEOPZGNJRC-UHFFFAOYSA-N
XLogP1.48
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one?
The IUPAC name of 1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one (CID 10023882) is 1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one.
What is the SMILES notation for 1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one?
The canonical SMILES for 1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one is O=C(CN1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1)N1CCCC1.
What is the InChIKey of 1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one?
The InChIKey is BORUOEOPZGNJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c27-21(23(29,20-9-6-10-20)19-7-2-1-3-8-19)17-24-13-15-25(16-14-24)18-22(28)26-11-4-5-12-26/h1-3,7-8,20,29H,4-6,9-18H2.
What are the key properties of 1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one?
1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one has a molecular weight of 399.54 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one is sourced from PubChem (CID 10023882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).