2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide

C16H32N2O7 — CID 20656282

IUPAC2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
SMILESCC1(C)CC(NC(=O)C(O)C(O)C(O)C(O)C(O)CO)CC(C)(C)N1
InChIInChI=1S/C16H32N2O7/c1-15(2)5-8(6-16(3,4)18-15)17-14(25)13(24)12(23)11(22)10(21)9(20)7-19/h8-13,18-24H,5-7H2,1-4H3,(H,17,25)
InChIKeyMWLPSDOLKMAMLQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP-2.79
Rot. Bonds7

About 2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide

2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide (PubChem CID 20656282) has the molecular formula C16H32N2O7 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
PubChem CID20656282
Molecular FormulaC16H32N2O7
Molecular Weight364.44 g/mol
Exact Mass364.22
IUPAC Name2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
SMILESCC1(C)CC(NC(=O)C(O)C(O)C(O)C(O)C(O)CO)CC(C)(C)N1
InChIInChI=1S/C16H32N2O7/c1-15(2)5-8(6-16(3,4)18-15)17-14(25)13(24)12(23)11(22)10(21)9(20)7-19/h8-13,18-24H,5-7H2,1-4H3,(H,17,25)
InChIKeyMWLPSDOLKMAMLQ-UHFFFAOYSA-N
XLogP-2.79
TPSA162.51 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 5-2.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide?
The IUPAC name of 2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide (CID 20656282) is 2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide.
What is the SMILES notation for 2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide?
The canonical SMILES for 2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide is CC1(C)CC(NC(=O)C(O)C(O)C(O)C(O)C(O)CO)CC(C)(C)N1.
What is the InChIKey of 2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide?
The InChIKey is MWLPSDOLKMAMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O7/c1-15(2)5-8(6-16(3,4)18-15)17-14(25)13(24)12(23)11(22)10(21)9(20)7-19/h8-13,18-24H,5-7H2,1-4H3,(H,17,25).
What are the key properties of 2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide?
2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide has a molecular weight of 364.44 g/mol, XLogP of -2.79, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide is sourced from PubChem (CID 20656282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).