bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate

C26H42N2O6 — CID 154095957

IUPACbis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate
SMILESCC(=O)N1C(C)(C)CC(OC(=O)C=CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H42N2O6/c1-17(29)27-23(3,4)13-19(14-24(27,5)6)33-21(31)11-12-22(32)34-20-15-25(7,8)28(18(2)30)26(9,10)16-20/h11-12,19-20H,13-16H2,1-10H3
InChIKeyBTVGATFGZMPJSU-UHFFFAOYSA-N
MW478.63 g/mol
LogP3.77
Rot. Bonds4

About bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate

bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate (PubChem CID 154095957) has the molecular formula C26H42N2O6 and a molecular weight of 478.63 g/mol. Its IUPAC name is bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate.

Molecular Properties

Compound Namebis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate
PubChem CID154095957
Molecular FormulaC26H42N2O6
Molecular Weight478.63 g/mol
Exact Mass478.30
IUPAC Namebis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate
SMILESCC(=O)N1C(C)(C)CC(OC(=O)C=CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H42N2O6/c1-17(29)27-23(3,4)13-19(14-24(27,5)6)33-21(31)11-12-22(32)34-20-15-25(7,8)28(18(2)30)26(9,10)16-20/h11-12,19-20H,13-16H2,1-10H3
InChIKeyBTVGATFGZMPJSU-UHFFFAOYSA-N
XLogP3.77
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.63
LogP ≤ 53.77
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-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate?
The IUPAC name of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate (CID 154095957) is bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate.
What is the SMILES notation for bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate?
The canonical SMILES for bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate is CC(=O)N1C(C)(C)CC(OC(=O)C=CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate?
The InChIKey is BTVGATFGZMPJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O6/c1-17(29)27-23(3,4)13-19(14-24(27,5)6)33-21(31)11-12-22(32)34-20-15-25(7,8)28(18(2)30)26(9,10)16-20/h11-12,19-20H,13-16H2,1-10H3.
What are the key properties of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate?
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate has a molecular weight of 478.63 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate is sourced from PubChem (CID 154095957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).