2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

C46H78N4O8 — CID 70371657

IUPAC2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESC=C1CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(=C)N(C)C(C)(C)C2)CC(C)(C)N1C
InChIInChI=1S/C46H78N4O8/c1-29-19-31(23-41(3,4)47(29)15)55-37(51)21-36(40(54)58-34-27-45(11,12)50(18)46(13,14)28-34)35(39(53)57-32-20-30(2)48(16)42(5,6)24-32)22-38(52)56-33-25-43(7,8)49(17)44(9,10)26-33/h31-36H,1-2,19-28H2,3-18H3
InChIKeySMXCNXWBOMGLQG-UHFFFAOYSA-N
MW815.15 g/mol
LogP7.25
Rot. Bonds11

About 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (PubChem CID 70371657) has the molecular formula C46H78N4O8 and a molecular weight of 815.15 g/mol. Its IUPAC name is 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Name2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
PubChem CID70371657
Molecular FormulaC46H78N4O8
Molecular Weight815.15 g/mol
Exact Mass814.58
IUPAC Name2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESC=C1CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(=C)N(C)C(C)(C)C2)CC(C)(C)N1C
InChIInChI=1S/C46H78N4O8/c1-29-19-31(23-41(3,4)47(29)15)55-37(51)21-36(40(54)58-34-27-45(11,12)50(18)46(13,14)28-34)35(39(53)57-32-20-30(2)48(16)42(5,6)24-32)22-38(52)56-33-25-43(7,8)49(17)44(9,10)26-33/h31-36H,1-2,19-28H2,3-18H3
InChIKeySMXCNXWBOMGLQG-UHFFFAOYSA-N
XLogP7.25
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.15
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The IUPAC name of 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (CID 70371657) is 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is C=C1CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(=C)N(C)C(C)(C)C2)CC(C)(C)N1C.
What is the InChIKey of 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The InChIKey is SMXCNXWBOMGLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H78N4O8/c1-29-19-31(23-41(3,4)47(29)15)55-37(51)21-36(40(54)58-34-27-45(11,12)50(18)46(13,14)28-34)35(39(53)57-32-20-30(2)48(16)42(5,6)24-32)22-38(52)56-33-25-43(7,8)49(17)44(9,10)26-33/h31-36H,1-2,19-28H2,3-18H3.
What are the key properties of 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate has a molecular weight of 815.15 g/mol, XLogP of 7.25, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-bis(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 70371657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).