bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate

C25H46N2O4 — CID 18343941

IUPACbis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate
SMILESCN1C(C)(C)CC(C)(OC(=O)CC(=O)OC2(C)CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C25H46N2O4/c1-20(2)14-24(9,15-21(3,4)26(20)11)30-18(28)13-19(29)31-25(10)16-22(5,6)27(12)23(7,8)17-25/h13-17H2,1-12H3
InChIKeyXYYMUAZFXDQNIJ-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.55
Rot. Bonds4

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

bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate (PubChem CID 18343941) has the molecular formula C25H46N2O4 and a molecular weight of 438.65 g/mol. Its IUPAC name is bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate.

Molecular Properties

Compound Namebis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate
PubChem CID18343941
Molecular FormulaC25H46N2O4
Molecular Weight438.65 g/mol
Exact Mass438.35
IUPAC Namebis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate
SMILESCN1C(C)(C)CC(C)(OC(=O)CC(=O)OC2(C)CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C25H46N2O4/c1-20(2)14-24(9,15-21(3,4)26(20)11)30-18(28)13-19(29)31-25(10)16-22(5,6)27(12)23(7,8)17-25/h13-17H2,1-12H3
InChIKeyXYYMUAZFXDQNIJ-UHFFFAOYSA-N
XLogP4.55
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(1,2,2,4,6,6-hexamethylpiperidin-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(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate?
The IUPAC name of bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate (CID 18343941) is bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate.
What is the SMILES notation for bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate?
The canonical SMILES for bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate is CN1C(C)(C)CC(C)(OC(=O)CC(=O)OC2(C)CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate?
The InChIKey is XYYMUAZFXDQNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O4/c1-20(2)14-24(9,15-21(3,4)26(20)11)30-18(28)13-19(29)31-25(10)16-22(5,6)27(12)23(7,8)17-25/h13-17H2,1-12H3.
What are the key properties of bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate?
bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate has a molecular weight of 438.65 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) propanedioate is sourced from PubChem (CID 18343941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).