bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate

C34H52N2O10 — CID 19784855

IUPACbis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate
SMILESCOC(=O)CCON1C(C)(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)N(OCCC(=O)OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C34H52N2O10/c1-31(2)19-23(20-32(3,4)35(31)43-17-15-27(37)41-9)45-29(39)25-13-11-12-14-26(25)30(40)46-24-21-33(5,6)36(34(7,8)22-24)44-18-16-28(38)42-10/h11-14,23-24H,15-22H2,1-10H3
InChIKeySGBQVJUVOBHTNE-UHFFFAOYSA-N
MW648.79 g/mol
LogP5.03
Rot. Bonds12

About bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate

bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate (PubChem CID 19784855) has the molecular formula C34H52N2O10 and a molecular weight of 648.79 g/mol. Its IUPAC name is bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate
PubChem CID19784855
Molecular FormulaC34H52N2O10
Molecular Weight648.79 g/mol
Exact Mass648.36
IUPAC Namebis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate
SMILESCOC(=O)CCON1C(C)(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)N(OCCC(=O)OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C34H52N2O10/c1-31(2)19-23(20-32(3,4)35(31)43-17-15-27(37)41-9)45-29(39)25-13-11-12-14-26(25)30(40)46-24-21-33(5,6)36(34(7,8)22-24)44-18-16-28(38)42-10/h11-14,23-24H,15-22H2,1-10H3
InChIKeySGBQVJUVOBHTNE-UHFFFAOYSA-N
XLogP5.03
TPSA130.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500648.79
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate?
The IUPAC name of bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate (CID 19784855) is bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate.
What is the SMILES notation for bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate?
The canonical SMILES for bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate is COC(=O)CCON1C(C)(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)N(OCCC(=O)OC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate?
The InChIKey is SGBQVJUVOBHTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N2O10/c1-31(2)19-23(20-32(3,4)35(31)43-17-15-27(37)41-9)45-29(39)25-13-11-12-14-26(25)30(40)46-24-21-33(5,6)36(34(7,8)22-24)44-18-16-28(38)42-10/h11-14,23-24H,15-22H2,1-10H3.
What are the key properties of bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate?
bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate has a molecular weight of 648.79 g/mol, XLogP of 5.03, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(3-methoxy-3-oxopropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzene-1,2-dicarboxylate is sourced from PubChem (CID 19784855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).