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

C17H28N2O4 — CID 91912871

IUPAC1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
SMILESCCOCC(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C17H28N2O4/c1-2-23-12-14(20)18-10-6-13(7-11-18)19-16(22)15(21)17(19)8-4-3-5-9-17/h13,15,21H,2-12H2,1H3
InChIKeyRACAWYZGCUVUNZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP0.92
Rot. Bonds4

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

1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one (PubChem CID 91912871) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
PubChem CID91912871
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
SMILESCCOCC(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C17H28N2O4/c1-2-23-12-14(20)18-10-6-13(7-11-18)19-16(22)15(21)17(19)8-4-3-5-9-17/h13,15,21H,2-12H2,1H3
InChIKeyRACAWYZGCUVUNZ-UHFFFAOYSA-N
XLogP0.92
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one (CID 91912871) is 1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one is CCOCC(=O)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1.
What is the InChIKey of 1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The InChIKey is RACAWYZGCUVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-2-23-12-14(20)18-10-6-13(7-11-18)19-16(22)15(21)17(19)8-4-3-5-9-17/h13,15,21H,2-12H2,1H3.
What are the key properties of 1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one has a molecular weight of 324.42 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyacetyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91912871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).