diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate

C25H46N2O4 — CID 19818848

IUPACdiethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H46N2O4/c1-11-30-19(28)25(20(29)31-12-2,17-13-21(3,4)26-22(5,6)14-17)18-15-23(7,8)27-24(9,10)16-18/h17-18,26-27H,11-16H2,1-10H3
InChIKeySNSOQUSPEDCVOQ-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.21
Rot. Bonds6

About diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate

diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate (PubChem CID 19818848) has the molecular formula C25H46N2O4 and a molecular weight of 438.65 g/mol. Its IUPAC name is diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate.

Molecular Properties

Compound Namediethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate
PubChem CID19818848
Molecular FormulaC25H46N2O4
Molecular Weight438.65 g/mol
Exact Mass438.35
IUPAC Namediethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H46N2O4/c1-11-30-19(28)25(20(29)31-12-2,17-13-21(3,4)26-22(5,6)14-17)18-15-23(7,8)27-24(9,10)16-18/h17-18,26-27H,11-16H2,1-10H3
InChIKeySNSOQUSPEDCVOQ-UHFFFAOYSA-N
XLogP4.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate?
The IUPAC name of diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate (CID 19818848) is diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate.
What is the SMILES notation for diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate?
The canonical SMILES for diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate is CCOC(=O)C(C(=O)OCC)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate?
The InChIKey is SNSOQUSPEDCVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O4/c1-11-30-19(28)25(20(29)31-12-2,17-13-21(3,4)26-22(5,6)14-17)18-15-23(7,8)27-24(9,10)16-18/h17-18,26-27H,11-16H2,1-10H3.
What are the key properties of diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate?
diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate has a molecular weight of 438.65 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanedioate is sourced from PubChem (CID 19818848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).