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

C19H28N2O3 — CID 10314723

IUPAC1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
SMILESO=C(CN1CCN(CCO)CC1)C(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C19H28N2O3/c22-14-13-20-9-11-21(12-10-20)15-18(23)19(24,17-7-4-8-17)16-5-2-1-3-6-16/h1-3,5-6,17,22,24H,4,7-15H2
InChIKeyFWYWNHRZLFAOIX-UHFFFAOYSA-N
MW332.44 g/mol
LogP0.85
Rot. Bonds7

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

1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one (PubChem CID 10314723) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
PubChem CID10314723
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
SMILESO=C(CN1CCN(CCO)CC1)C(O)(c1ccccc1)C1CCC1
InChIInChI=1S/C19H28N2O3/c22-14-13-20-9-11-21(12-10-20)15-18(23)19(24,17-7-4-8-17)16-5-2-1-3-6-16/h1-3,5-6,17,22,24H,4,7-15H2
InChIKeyFWYWNHRZLFAOIX-UHFFFAOYSA-N
XLogP0.85
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one?
The IUPAC name of 1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one (CID 10314723) is 1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one.
What is the SMILES notation for 1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one?
The canonical SMILES for 1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one is O=C(CN1CCN(CCO)CC1)C(O)(c1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one?
The InChIKey is FWYWNHRZLFAOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-14-13-20-9-11-21(12-10-20)15-18(23)19(24,17-7-4-8-17)16-5-2-1-3-6-16/h1-3,5-6,17,22,24H,4,7-15H2.
What are the key properties of 1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one?
1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one has a molecular weight of 332.44 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one is sourced from PubChem (CID 10314723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).