1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate

C27H50N2O4 — CID 70965524

IUPAC1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate
SMILESCCCCCCCC(C(=O)OC1CC(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H50N2O4/c1-9-10-11-12-13-14-22(23(30)32-20-15-19(2)28-25(3,4)16-20)24(31)33-21-17-26(5,6)29-27(7,8)18-21/h19-22,28-29H,9-18H2,1-8H3
InChIKeyVAQCVVQGSOBWLH-UHFFFAOYSA-N
MW466.71 g/mol
LogP5.28
Rot. Bonds10

About 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate

1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate (PubChem CID 70965524) has the molecular formula C27H50N2O4 and a molecular weight of 466.71 g/mol. Its IUPAC name is 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate.

Molecular Properties

Compound Name1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate
PubChem CID70965524
Molecular FormulaC27H50N2O4
Molecular Weight466.71 g/mol
Exact Mass466.38
IUPAC Name1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate
SMILESCCCCCCCC(C(=O)OC1CC(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H50N2O4/c1-9-10-11-12-13-14-22(23(30)32-20-15-19(2)28-25(3,4)16-20)24(31)33-21-17-26(5,6)29-27(7,8)18-21/h19-22,28-29H,9-18H2,1-8H3
InChIKeyVAQCVVQGSOBWLH-UHFFFAOYSA-N
XLogP5.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
CID 20778574
(2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate
CID 71130144
2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate
CID 6365990
3-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,2-O-ditridecyl butane-1,2,3,4-tetracarboxylate
CID 58004425
1-O-(5-ethyl-2,2,6-trimethylpiperidin-4-yl) 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 139527487
6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid
CID 90832093
butane;[(4R,6S)-2,2,6-trimethylpiperidin-4-yl] benzoate
CID 130476048
(2,2,6-trimethylpiperidin-4-yl) prop-2-enoate
CID 144639404
(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
CID 162509434
1-O-(3,3-dimethyl-5-propan-2-ylcyclohexyl) 1-O,7-O-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) heptane-1,1,7-tricarboxylate
CID 158684661
1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine
CID 70555814
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140

Frequently Asked Questions

What is the IUPAC name of 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate?
The IUPAC name of 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate (CID 70965524) is 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate.
What is the SMILES notation for 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate?
The canonical SMILES for 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate is CCCCCCCC(C(=O)OC1CC(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate?
The InChIKey is VAQCVVQGSOBWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N2O4/c1-9-10-11-12-13-14-22(23(30)32-20-15-19(2)28-25(3,4)16-20)24(31)33-21-17-26(5,6)29-27(7,8)18-21/h19-22,28-29H,9-18H2,1-8H3.
What are the key properties of 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate?
1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate has a molecular weight of 466.71 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate is sourced from PubChem (CID 70965524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).