1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one

C22H28N2O3 — CID 10429124

IUPAC1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(CN1CCN(Cc2ccco2)CC1)C(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C22H28N2O3/c25-21(22(26,19-8-4-9-19)18-6-2-1-3-7-18)17-24-13-11-23(12-14-24)16-20-10-5-15-27-20/h1-3,5-7,10,15,19,26H,4,8-9,11-14,16-17H2
InChIKeyQWMKZVMOICTKIR-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.65
Rot. Bonds7

About 1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one

1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one (PubChem CID 10429124) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one
PubChem CID10429124
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(CN1CCN(Cc2ccco2)CC1)C(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C22H28N2O3/c25-21(22(26,19-8-4-9-19)18-6-2-1-3-7-18)17-24-13-11-23(12-14-24)16-20-10-5-15-27-20/h1-3,5-7,10,15,19,26H,4,8-9,11-14,16-17H2
InChIKeyQWMKZVMOICTKIR-UHFFFAOYSA-N
XLogP2.65
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one?
The IUPAC name of 1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one (CID 10429124) is 1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one?
The canonical SMILES for 1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one is O=C(CN1CCN(Cc2ccco2)CC1)C(O)(c1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one?
The InChIKey is QWMKZVMOICTKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-21(22(26,19-8-4-9-19)18-6-2-1-3-7-18)17-24-13-11-23(12-14-24)16-20-10-5-15-27-20/h1-3,5-7,10,15,19,26H,4,8-9,11-14,16-17H2.
What are the key properties of 1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one?
1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one has a molecular weight of 368.48 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-hydroxy-1-phenylpropan-2-one is sourced from PubChem (CID 10429124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).