1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide

C44H82N8O4 — CID 70360481

IUPAC1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide
SMILESCC1(C)CC(NC(=O)CC(C(=O)NC2CC(C)(C)NC(C)(C)C2)C(CC(=O)NC2CC(C)(C)NC(C)(C)C2)C(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C44H82N8O4/c1-37(2)19-27(20-38(3,4)49-37)45-33(53)17-31(35(55)47-29-23-41(9,10)51-42(11,12)24-29)32(36(56)48-30-25-43(13,14)52-44(15,16)26-30)18-34(54)46-28-21-39(5,6)50-40(7,8)22-28/h27-32,49-52H,17-26H2,1-16H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)
InChIKeyUEQQIQCNBVEOBM-UHFFFAOYSA-N
MW787.19 g/mol
LogP4.70
Rot. Bonds11

About 1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide

1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide (PubChem CID 70360481) has the molecular formula C44H82N8O4 and a molecular weight of 787.19 g/mol. Its IUPAC name is 1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide
PubChem CID70360481
Molecular FormulaC44H82N8O4
Molecular Weight787.19 g/mol
Exact Mass786.65
IUPAC Name1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide
SMILESCC1(C)CC(NC(=O)CC(C(=O)NC2CC(C)(C)NC(C)(C)C2)C(CC(=O)NC2CC(C)(C)NC(C)(C)C2)C(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C44H82N8O4/c1-37(2)19-27(20-38(3,4)49-37)45-33(53)17-31(35(55)47-29-23-41(9,10)51-42(11,12)24-29)32(36(56)48-30-25-43(13,14)52-44(15,16)26-30)18-34(54)46-28-21-39(5,6)50-40(7,8)22-28/h27-32,49-52H,17-26H2,1-16H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)
InChIKeyUEQQIQCNBVEOBM-UHFFFAOYSA-N
XLogP4.70
TPSA164.52 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.19
LogP ≤ 54.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide?
The IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide (CID 70360481) is 1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide.
What is the SMILES notation for 1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide?
The canonical SMILES for 1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide is CC1(C)CC(NC(=O)CC(C(=O)NC2CC(C)(C)NC(C)(C)C2)C(CC(=O)NC2CC(C)(C)NC(C)(C)C2)C(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide?
The InChIKey is UEQQIQCNBVEOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H82N8O4/c1-37(2)19-27(20-38(3,4)49-37)45-33(53)17-31(35(55)47-29-23-41(9,10)51-42(11,12)24-29)32(36(56)48-30-25-43(13,14)52-44(15,16)26-30)18-34(54)46-28-21-39(5,6)50-40(7,8)22-28/h27-32,49-52H,17-26H2,1-16H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56).
What are the key properties of 1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide?
1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide has a molecular weight of 787.19 g/mol, XLogP of 4.70, 11 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide is sourced from PubChem (CID 70360481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).