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

C16H26N2O3 — CID 110204025

IUPAC3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one
SMILESCCC(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C16H26N2O3/c1-2-13(19)17-10-6-12(7-11-17)18-15(21)14(20)16(18)8-4-3-5-9-16/h12,14,20H,2-11H2,1H3
InChIKeyJZGBHDFOEXZRSH-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.29
Rot. Bonds2

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

3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one (PubChem CID 110204025) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one
PubChem CID110204025
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one
SMILESCCC(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C16H26N2O3/c1-2-13(19)17-10-6-12(7-11-17)18-15(21)14(20)16(18)8-4-3-5-9-16/h12,14,20H,2-11H2,1H3
InChIKeyJZGBHDFOEXZRSH-UHFFFAOYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.29
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-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one (CID 110204025) is 3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one is CCC(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1.
What is the InChIKey of 3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one?
The InChIKey is JZGBHDFOEXZRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-13(19)17-10-6-12(7-11-17)18-15(21)14(20)16(18)8-4-3-5-9-16/h12,14,20H,2-11H2,1H3.
What are the key properties of 3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one?
3-hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one has a molecular weight of 294.39 g/mol, XLogP of 1.29, 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-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 110204025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).