bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate

C23H40N2O4 — CID 21134251

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H40N2O4/c1-15(19(27)29-17-13-22(6,7)25-23(8,9)14-17)10-18(26)28-16-11-20(2,3)24-21(4,5)12-16/h16-17,24-25H,1,10-14H2,2-9H3
InChIKeyGRKOEMFZBWYVSJ-UHFFFAOYSA-N
MW408.58 g/mol
LogP3.64
Rot. Bonds5

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate (PubChem CID 21134251) has the molecular formula C23H40N2O4 and a molecular weight of 408.58 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate
PubChem CID21134251
Molecular FormulaC23H40N2O4
Molecular Weight408.58 g/mol
Exact Mass408.30
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H40N2O4/c1-15(19(27)29-17-13-22(6,7)25-23(8,9)14-17)10-18(26)28-16-11-20(2,3)24-21(4,5)12-16/h16-17,24-25H,1,10-14H2,2-9H3
InChIKeyGRKOEMFZBWYVSJ-UHFFFAOYSA-N
XLogP3.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 53.64
H-Bond Donors ≤ 52
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(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate (CID 21134251) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate is C=C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate?
The InChIKey is GRKOEMFZBWYVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O4/c1-15(19(27)29-17-13-22(6,7)25-23(8,9)14-17)10-18(26)28-16-11-20(2,3)24-21(4,5)12-16/h16-17,24-25H,1,10-14H2,2-9H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate has a molecular weight of 408.58 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate is sourced from PubChem (CID 21134251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).