2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide

C15H30N2O7 — CID 91087735

IUPAC2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide
SMILESCC1(C)CC(NC(=O)C(O)C(O)C(O)C(O)CO)CC(C)(C)N1O
InChIInChI=1S/C15H30N2O7/c1-14(2)5-8(6-15(3,4)17(14)24)16-13(23)12(22)11(21)10(20)9(19)7-18/h8-12,18-22,24H,5-7H2,1-4H3,(H,16,23)
InChIKeyWYLKFKFVQDJMLR-UHFFFAOYSA-N
MW350.41 g/mol
LogP-2.05
Rot. Bonds6

About 2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide

2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide (PubChem CID 91087735) has the molecular formula C15H30N2O7 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide.

Molecular Properties

Compound Name2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide
PubChem CID91087735
Molecular FormulaC15H30N2O7
Molecular Weight350.41 g/mol
Exact Mass350.21
IUPAC Name2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide
SMILESCC1(C)CC(NC(=O)C(O)C(O)C(O)C(O)CO)CC(C)(C)N1O
InChIInChI=1S/C15H30N2O7/c1-14(2)5-8(6-15(3,4)17(14)24)16-13(23)12(22)11(21)10(20)9(19)7-18/h8-12,18-22,24H,5-7H2,1-4H3,(H,16,23)
InChIKeyWYLKFKFVQDJMLR-UHFFFAOYSA-N
XLogP-2.05
TPSA153.72 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 5-2.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide?
The IUPAC name of 2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide (CID 91087735) is 2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide.
What is the SMILES notation for 2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide?
The canonical SMILES for 2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide is CC1(C)CC(NC(=O)C(O)C(O)C(O)C(O)CO)CC(C)(C)N1O.
What is the InChIKey of 2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide?
The InChIKey is WYLKFKFVQDJMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O7/c1-14(2)5-8(6-15(3,4)17(14)24)16-13(23)12(22)11(21)10(20)9(19)7-18/h8-12,18-22,24H,5-7H2,1-4H3,(H,16,23).
What are the key properties of 2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide?
2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide has a molecular weight of 350.41 g/mol, XLogP of -2.05, 6 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentahydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexanamide is sourced from PubChem (CID 91087735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).