1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate

C14H25NO4 — CID 54549901

IUPAC1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
SMILESCOC(=O)CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H25NO4/c1-13(2)8-10(9-14(3,4)15(13)5)19-12(17)7-11(16)18-6/h10H,7-9H2,1-6H3
InChIKeyZJEGFVLLQDLQHD-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.74
Rot. Bonds3

About 1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate

1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate (PubChem CID 54549901) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate.

Molecular Properties

Compound Name1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
PubChem CID54549901
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
SMILESCOC(=O)CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H25NO4/c1-13(2)8-10(9-14(3,4)15(13)5)19-12(17)7-11(16)18-6/h10H,7-9H2,1-6H3
InChIKeyZJEGFVLLQDLQHD-UHFFFAOYSA-N
XLogP1.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate?
The IUPAC name of 1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate (CID 54549901) is 1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate.
What is the SMILES notation for 1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate?
The canonical SMILES for 1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate is COC(=O)CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate?
The InChIKey is ZJEGFVLLQDLQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2)8-10(9-14(3,4)15(13)5)19-12(17)7-11(16)18-6/h10H,7-9H2,1-6H3.
What are the key properties of 1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate?
1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate has a molecular weight of 271.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate is sourced from PubChem (CID 54549901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).