3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one

C15H24F2N2O3 — CID 136572621

IUPAC3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one
SMILESO=C(N1CCN(C2CCCC2O)CC1)C(F)(F)C(O)C1CC1
InChIInChI=1S/C15H24F2N2O3/c16-15(17,13(21)10-4-5-10)14(22)19-8-6-18(7-9-19)11-2-1-3-12(11)20/h10-13,20-21H,1-9H2
InChIKeyJMKUJHYFQXGLGL-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.45
Rot. Bonds4

About 3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one

3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one (PubChem CID 136572621) has the molecular formula C15H24F2N2O3 and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one
PubChem CID136572621
Molecular FormulaC15H24F2N2O3
Molecular Weight318.36 g/mol
Exact Mass318.18
IUPAC Name3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one
SMILESO=C(N1CCN(C2CCCC2O)CC1)C(F)(F)C(O)C1CC1
InChIInChI=1S/C15H24F2N2O3/c16-15(17,13(21)10-4-5-10)14(22)19-8-6-18(7-9-19)11-2-1-3-12(11)20/h10-13,20-21H,1-9H2
InChIKeyJMKUJHYFQXGLGL-UHFFFAOYSA-N
XLogP0.45
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one (CID 136572621) is 3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one is O=C(N1CCN(C2CCCC2O)CC1)C(F)(F)C(O)C1CC1.
What is the InChIKey of 3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one?
The InChIKey is JMKUJHYFQXGLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O3/c16-15(17,13(21)10-4-5-10)14(22)19-8-6-18(7-9-19)11-2-1-3-12(11)20/h10-13,20-21H,1-9H2.
What are the key properties of 3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one?
3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one has a molecular weight of 318.36 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,2-difluoro-3-hydroxy-1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 136572621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).