2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid

C32H56N2O6 — CID 18371956

IUPAC2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCC(=O)N1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C32H56N2O6/c1-22(35)33-28(3,4)18-24(19-29(33,5)6)32(27(39)40,17-15-13-11-12-14-16-26(37)38)25-20-30(7,8)34(23(2)36)31(9,10)21-25/h24-25H,11-21H2,1-10H3,(H,37,38)(H,39,40)
InChIKeyZZBAOUVLLPZFGG-UHFFFAOYSA-N
MW564.81 g/mol
LogP6.50
Rot. Bonds11

About 2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid

2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid (PubChem CID 18371956) has the molecular formula C32H56N2O6 and a molecular weight of 564.81 g/mol. Its IUPAC name is 2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
PubChem CID18371956
Molecular FormulaC32H56N2O6
Molecular Weight564.81 g/mol
Exact Mass564.41
IUPAC Name2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCC(=O)N1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C32H56N2O6/c1-22(35)33-28(3,4)18-24(19-29(33,5)6)32(27(39)40,17-15-13-11-12-14-16-26(37)38)25-20-30(7,8)34(23(2)36)31(9,10)21-25/h24-25H,11-21H2,1-10H3,(H,37,38)(H,39,40)
InChIKeyZZBAOUVLLPZFGG-UHFFFAOYSA-N
XLogP6.50
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.81
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The IUPAC name of 2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid (CID 18371956) is 2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid.
What is the SMILES notation for 2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The canonical SMILES for 2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid is CC(=O)N1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The InChIKey is ZZBAOUVLLPZFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O6/c1-22(35)33-28(3,4)18-24(19-29(33,5)6)32(27(39)40,17-15-13-11-12-14-16-26(37)38)25-20-30(7,8)34(23(2)36)31(9,10)21-25/h24-25H,11-21H2,1-10H3,(H,37,38)(H,39,40).
What are the key properties of 2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid has a molecular weight of 564.81 g/mol, XLogP of 6.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 18371956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).