bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate

C23H42N2O6 — CID 20576509

IUPACbis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
SMILESCON1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C23H42N2O6/c1-20(2)12-16(13-21(3,4)24(20)28-9)30-18(26)11-19(27)31-17-14-22(5,6)25(29-10)23(7,8)15-17/h16-17H,11-15H2,1-10H3
InChIKeyGHVWDIVFWJGSDO-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.63
Rot. Bonds6

About bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate

bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate (PubChem CID 20576509) has the molecular formula C23H42N2O6 and a molecular weight of 442.60 g/mol. Its IUPAC name is bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate.

Molecular Properties

Compound Namebis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
PubChem CID20576509
Molecular FormulaC23H42N2O6
Molecular Weight442.60 g/mol
Exact Mass442.30
IUPAC Namebis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
SMILESCON1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C23H42N2O6/c1-20(2)12-16(13-21(3,4)24(20)28-9)30-18(26)11-19(27)31-17-14-22(5,6)25(29-10)23(7,8)15-17/h16-17H,11-15H2,1-10H3
InChIKeyGHVWDIVFWJGSDO-UHFFFAOYSA-N
XLogP3.63
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate?
The IUPAC name of bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate (CID 20576509) is bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate.
What is the SMILES notation for bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate?
The canonical SMILES for bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate is CON1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate?
The InChIKey is GHVWDIVFWJGSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O6/c1-20(2)12-16(13-21(3,4)24(20)28-9)30-18(26)11-19(27)31-17-14-22(5,6)25(29-10)23(7,8)15-17/h16-17H,11-15H2,1-10H3.
What are the key properties of bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate?
bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate has a molecular weight of 442.60 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate is sourced from PubChem (CID 20576509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).