6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid

C24H44N2O4 — CID 66871450

IUPAC6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid
SMILESCC1(C)CC(OC(=O)C(CCCC(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H44N2O4/c1-21(2)12-16(13-22(3,4)25-21)18(10-9-11-19(27)28)20(29)30-17-14-23(5,6)26-24(7,8)15-17/h16-18,25-26H,9-15H2,1-8H3,(H,27,28)
InChIKeyDPRFNJNGCTVNIU-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.27
Rot. Bonds7

About 6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid

6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid (PubChem CID 66871450) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is 6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid.

Molecular Properties

Compound Name6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid
PubChem CID66871450
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Name6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid
SMILESCC1(C)CC(OC(=O)C(CCCC(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H44N2O4/c1-21(2)12-16(13-22(3,4)25-21)18(10-9-11-19(27)28)20(29)30-17-14-23(5,6)26-24(7,8)15-17/h16-18,25-26H,9-15H2,1-8H3,(H,27,28)
InChIKeyDPRFNJNGCTVNIU-UHFFFAOYSA-N
XLogP4.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid?
The IUPAC name of 6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid (CID 66871450) is 6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid.
What is the SMILES notation for 6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid?
The canonical SMILES for 6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid is CC1(C)CC(OC(=O)C(CCCC(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid?
The InChIKey is DPRFNJNGCTVNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-21(2)12-16(13-22(3,4)25-21)18(10-9-11-19(27)28)20(29)30-17-14-23(5,6)26-24(7,8)15-17/h16-18,25-26H,9-15H2,1-8H3,(H,27,28).
What are the key properties of 6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid?
6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid has a molecular weight of 424.63 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexanoic acid is sourced from PubChem (CID 66871450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).