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

C21H30N2O2 — CID 10043038

IUPAC1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(CN1CCN(C2CCC2)CC1)C(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C21H30N2O2/c24-20(16-22-12-14-23(15-13-22)19-10-5-11-19)21(25,18-8-4-9-18)17-6-2-1-3-7-17/h1-3,6-7,18-19,25H,4-5,8-16H2
InChIKeyJTTYXNMXDRFZJJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.41
Rot. Bonds6

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

1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one (PubChem CID 10043038) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one
PubChem CID10043038
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(CN1CCN(C2CCC2)CC1)C(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C21H30N2O2/c24-20(16-22-12-14-23(15-13-22)19-10-5-11-19)21(25,18-8-4-9-18)17-6-2-1-3-7-17/h1-3,6-7,18-19,25H,4-5,8-16H2
InChIKeyJTTYXNMXDRFZJJ-UHFFFAOYSA-N
XLogP2.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-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-3-(4-ethylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one
CID 10313700
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
1-Cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one
CID 10338238

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one?
The IUPAC name of 1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one (CID 10043038) is 1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one?
The canonical SMILES for 1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one is O=C(CN1CCN(C2CCC2)CC1)C(O)(c1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one?
The InChIKey is JTTYXNMXDRFZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(16-22-12-14-23(15-13-22)19-10-5-11-19)21(25,18-8-4-9-18)17-6-2-1-3-7-17/h1-3,6-7,18-19,25H,4-5,8-16H2.
What are the key properties of 1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one?
1-cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one has a molecular weight of 342.48 g/mol, XLogP of 2.41, 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-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one is sourced from PubChem (CID 10043038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).