bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate

C25H44N2O4 — CID 54002279

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C25H44N2O4/c1-17(21(29)31-19-15-24(6,7)27(11)25(8,9)16-19)12-20(28)30-18-13-22(2,3)26(10)23(4,5)14-18/h18-19H,1,12-16H2,2-11H3
InChIKeyKMLDEOPQMFYECD-UHFFFAOYSA-N
MW436.64 g/mol
LogP4.32
Rot. Bonds5

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate (PubChem CID 54002279) has the molecular formula C25H44N2O4 and a molecular weight of 436.64 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate
PubChem CID54002279
Molecular FormulaC25H44N2O4
Molecular Weight436.64 g/mol
Exact Mass436.33
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C25H44N2O4/c1-17(21(29)31-19-15-24(6,7)27(11)25(8,9)16-19)12-20(28)30-18-13-22(2,3)26(10)23(4,5)14-18/h18-19H,1,12-16H2,2-11H3
InChIKeyKMLDEOPQMFYECD-UHFFFAOYSA-N
XLogP4.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate (CID 54002279) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate is C=C(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate?
The InChIKey is KMLDEOPQMFYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O4/c1-17(21(29)31-19-15-24(6,7)27(11)25(8,9)16-19)12-20(28)30-18-13-22(2,3)26(10)23(4,5)14-18/h18-19H,1,12-16H2,2-11H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate has a molecular weight of 436.64 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate is sourced from PubChem (CID 54002279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).