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

C17H28N2O3 — CID 91912879

IUPAC1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one
SMILESCCCC(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C17H28N2O3/c1-2-6-14(20)18-11-7-13(8-12-18)19-16(22)15(21)17(19)9-4-3-5-10-17/h13,15,21H,2-12H2,1H3
InChIKeyHCAYFMCLNUYLRH-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.68
Rot. Bonds3

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

1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one (PubChem CID 91912879) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one
PubChem CID91912879
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one
SMILESCCCC(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C17H28N2O3/c1-2-6-14(20)18-11-7-13(8-12-18)19-16(22)15(21)17(19)9-4-3-5-10-17/h13,15,21H,2-12H2,1H3
InChIKeyHCAYFMCLNUYLRH-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one (CID 91912879) is 1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one is CCCC(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1.
What is the InChIKey of 1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The InChIKey is HCAYFMCLNUYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-2-6-14(20)18-11-7-13(8-12-18)19-16(22)15(21)17(19)9-4-3-5-10-17/h13,15,21H,2-12H2,1H3.
What are the key properties of 1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one has a molecular weight of 308.42 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butanoylpiperidin-4-yl)-3-hydroxy-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91912879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).