4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid

C22H38N2O8 — CID 159996493

IUPAC4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
SMILESCC1(C)CC(OC(=O)CCC(=O)O)CC(C)(C)N1.O=C(O)CCC(=O)ON1CCCCC1
InChIInChI=1S/C13H23NO4.C9H15NO4/c1-12(2)7-9(8-13(3,4)14-12)18-11(17)6-5-10(15)16;11-8(12)4-5-9(13)14-10-6-2-1-3-7-10/h9,14H,5-8H2,1-4H3,(H,15,16);1-7H2,(H,11,12)
InChIKeyOHPKTKWRBSLUNC-UHFFFAOYSA-N
MW458.55 g/mol
LogP2.50
Rot. Bonds8

About 4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid

4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid (PubChem CID 159996493) has the molecular formula C22H38N2O8 and a molecular weight of 458.55 g/mol. Its IUPAC name is 4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid.

Molecular Properties

Compound Name4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
PubChem CID159996493
Molecular FormulaC22H38N2O8
Molecular Weight458.55 g/mol
Exact Mass458.26
IUPAC Name4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
SMILESCC1(C)CC(OC(=O)CCC(=O)O)CC(C)(C)N1.O=C(O)CCC(=O)ON1CCCCC1
InChIInChI=1S/C13H23NO4.C9H15NO4/c1-12(2)7-9(8-13(3,4)14-12)18-11(17)6-5-10(15)16;11-8(12)4-5-9(13)14-10-6-2-1-3-7-10/h9,14H,5-8H2,1-4H3,(H,15,16);1-7H2,(H,11,12)
InChIKeyOHPKTKWRBSLUNC-UHFFFAOYSA-N
XLogP2.50
TPSA142.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid?
The IUPAC name of 4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid (CID 159996493) is 4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid.
What is the SMILES notation for 4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid?
The canonical SMILES for 4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid is CC1(C)CC(OC(=O)CCC(=O)O)CC(C)(C)N1.O=C(O)CCC(=O)ON1CCCCC1.
What is the InChIKey of 4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid?
The InChIKey is OHPKTKWRBSLUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4.C9H15NO4/c1-12(2)7-9(8-13(3,4)14-12)18-11(17)6-5-10(15)16;11-8(12)4-5-9(13)14-10-6-2-1-3-7-10/h9,14H,5-8H2,1-4H3,(H,15,16);1-7H2,(H,11,12).
What are the key properties of 4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid?
4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid has a molecular weight of 458.55 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-piperidin-1-yloxybutanoic acid;4-oxo-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid is sourced from PubChem (CID 159996493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).