bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate

C21H36N2O6-2 — CID 12607630

IUPACbis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate
SMILESCC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C21H36N2O6/c1-18(2)10-14(11-19(3,4)22(18)26)28-16(24)9-17(25)29-15-12-20(5,6)23(27)21(7,8)13-15/h14-15H,9-13H2,1-8H3/q-2
InChIKeyXGOFKMKWIOPWSG-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.50
Rot. Bonds4

About bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate

bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate (PubChem CID 12607630) has the molecular formula C21H36N2O6-2 and a molecular weight of 412.53 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate
PubChem CID12607630
Molecular FormulaC21H36N2O6-2
Molecular Weight412.53 g/mol
Exact Mass412.26
IUPAC Namebis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate
SMILESCC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C21H36N2O6/c1-18(2)10-14(11-19(3,4)22(18)26)28-16(24)9-17(25)29-15-12-20(5,6)23(27)21(7,8)13-15/h14-15H,9-13H2,1-8H3/q-2
InChIKeyXGOFKMKWIOPWSG-UHFFFAOYSA-N
XLogP3.50
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate?
The IUPAC name of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate (CID 12607630) is bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate is CC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-].
What is the InChIKey of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate?
The InChIKey is XGOFKMKWIOPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O6/c1-18(2)10-14(11-19(3,4)22(18)26)28-16(24)9-17(25)29-15-12-20(5,6)23(27)21(7,8)13-15/h14-15H,9-13H2,1-8H3/q-2.
What are the key properties of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate?
bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate has a molecular weight of 412.53 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) propanedioate is sourced from PubChem (CID 12607630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).