3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one

C17H28N2O3 — CID 91912874

IUPAC3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one
SMILESCC(C)C(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C17H28N2O3/c1-12(2)15(21)18-10-6-13(7-11-18)19-16(22)14(20)17(19)8-4-3-5-9-17/h12-14,20H,3-11H2,1-2H3
InChIKeyPUCRWERIASUUHU-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.54
Rot. Bonds2

About 3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one

3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one (PubChem CID 91912874) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one
PubChem CID91912874
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one
SMILESCC(C)C(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C17H28N2O3/c1-12(2)15(21)18-10-6-13(7-11-18)19-16(22)14(20)17(19)8-4-3-5-9-17/h12-14,20H,3-11H2,1-2H3
InChIKeyPUCRWERIASUUHU-UHFFFAOYSA-N
XLogP1.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one (CID 91912874) is 3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one is CC(C)C(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1.
What is the InChIKey of 3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
The InChIKey is PUCRWERIASUUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(2)15(21)18-10-6-13(7-11-18)19-16(22)14(20)17(19)8-4-3-5-9-17/h12-14,20H,3-11H2,1-2H3.
What are the key properties of 3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one has a molecular weight of 308.42 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91912874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).