1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one

C19H28N2O2 — CID 10313700

IUPAC1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one
SMILESCCN1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-2-20-11-13-21(14-12-20)15-18(22)19(23,17-9-6-10-17)16-7-4-3-5-8-16/h3-5,7-8,17,23H,2,6,9-15H2,1H3
InChIKeyQUJJWKGJKRQKQA-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.88
Rot. Bonds6

About 1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one

1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one (PubChem CID 10313700) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one
PubChem CID10313700
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one
SMILESCCN1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-2-20-11-13-21(14-12-20)15-18(22)19(23,17-9-6-10-17)16-7-4-3-5-8-16/h3-5,7-8,17,23H,2,6,9-15H2,1H3
InChIKeyQUJJWKGJKRQKQA-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenylhept-5-yn-2-one
CID 131987
Npc 14695
CID 192358
1-Cyclohexyl-1-hydroxy-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-one
CID 9840500
1-Cyclobutyl-1-hydroxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 9974679
1-Cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-enylpiperazin-1-yl)propan-2-one
CID 9998398
1-Cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 10023882
1-Cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one
CID 10043038
1-Cyclobutyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one
CID 10064964
1-Cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one
CID 10246087
1-Cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 10247985
1-Cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 10314723
1-Cyclobutyl-1-hydroxy-1-phenyl-3-piperazin-1-ylpropan-2-one
CID 10334313

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one?
The IUPAC name of 1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one (CID 10313700) is 1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one?
The canonical SMILES for 1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one is CCN1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one?
The InChIKey is QUJJWKGJKRQKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-20-11-13-21(14-12-20)15-18(22)19(23,17-9-6-10-17)16-7-4-3-5-8-16/h3-5,7-8,17,23H,2,6,9-15H2,1H3.
What are the key properties of 1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one?
1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one has a molecular weight of 316.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one is sourced from PubChem (CID 10313700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).