dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate

C15H23NO5 — CID 3066700

IUPACdimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate
SMILESCOC(=O)C=C(C(=O)OC)N1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C15H23NO5/c1-14(2)8-10(17)9-15(3,4)16(14)11(13(19)21-6)7-12(18)20-5/h7H,8-9H2,1-6H3
InChIKeyXGXAVNHACSQRHY-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.44
Rot. Bonds3

About dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate

dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate (PubChem CID 3066700) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate.

Molecular Properties

Compound Namedimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate
PubChem CID3066700
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namedimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate
SMILESCOC(=O)C=C(C(=O)OC)N1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C15H23NO5/c1-14(2)8-10(17)9-15(3,4)16(14)11(13(19)21-6)7-12(18)20-5/h7H,8-9H2,1-6H3
InChIKeyXGXAVNHACSQRHY-UHFFFAOYSA-N
XLogP1.44
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.44
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 dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate?
The IUPAC name of dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate (CID 3066700) is dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate.
What is the SMILES notation for dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate?
The canonical SMILES for dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate is COC(=O)C=C(C(=O)OC)N1C(C)(C)CC(=O)CC1(C)C.
What is the InChIKey of dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate?
The InChIKey is XGXAVNHACSQRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-14(2)8-10(17)9-15(3,4)16(14)11(13(19)21-6)7-12(18)20-5/h7H,8-9H2,1-6H3.
What are the key properties of dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate?
dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate has a molecular weight of 297.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)but-2-enedioate is sourced from PubChem (CID 3066700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).