1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate

C47H82N4O8 — CID 139317087

IUPAC1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate
SMILESCN1C(C)(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)C2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC1(C)C
InChIInChI=1S/C47H82N4O8/c1-40(2)20-28(21-41(3,4)48-40)56-36(52)32-19-33(37(53)57-30-24-44(9,10)50(17)45(11,12)25-30)34(38(54)58-29-22-42(5,6)49-43(7,8)23-29)35(32)39(55)59-31-26-46(13,14)51(18)47(15,16)27-31/h28-35,48-49H,19-27H2,1-18H3
InChIKeyJWBFWGPUWCELIR-UHFFFAOYSA-N
MW831.19 g/mol
LogP6.95
Rot. Bonds8

About 1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate

1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate (PubChem CID 139317087) has the molecular formula C47H82N4O8 and a molecular weight of 831.19 g/mol. Its IUPAC name is 1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Name1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate
PubChem CID139317087
Molecular FormulaC47H82N4O8
Molecular Weight831.19 g/mol
Exact Mass830.61
IUPAC Name1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate
SMILESCN1C(C)(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)C2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC1(C)C
InChIInChI=1S/C47H82N4O8/c1-40(2)20-28(21-41(3,4)48-40)56-36(52)32-19-33(37(53)57-30-24-44(9,10)50(17)45(11,12)25-30)34(38(54)58-29-22-42(5,6)49-43(7,8)23-29)35(32)39(55)59-31-26-46(13,14)51(18)47(15,16)27-31/h28-35,48-49H,19-27H2,1-18H3
InChIKeyJWBFWGPUWCELIR-UHFFFAOYSA-N
XLogP6.95
TPSA135.74 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500831.19
LogP ≤ 56.95
H-Bond Donors ≤ 52
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 1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate?
The IUPAC name of 1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate (CID 139317087) is 1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for 1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate?
The canonical SMILES for 1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate is CN1C(C)(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)C2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC1(C)C.
What is the InChIKey of 1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate?
The InChIKey is JWBFWGPUWCELIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H82N4O8/c1-40(2)20-28(21-41(3,4)48-40)56-36(52)32-19-33(37(53)57-30-24-44(9,10)50(17)45(11,12)25-30)34(38(54)58-29-22-42(5,6)49-43(7,8)23-29)35(32)39(55)59-31-26-46(13,14)51(18)47(15,16)27-31/h28-35,48-49H,19-27H2,1-18H3.
What are the key properties of 1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate?
1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate has a molecular weight of 831.19 g/mol, XLogP of 6.95, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 139317087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).