N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide

C26H42N4O5 — CID 54178321

IUPACN'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide
SMILESCC(=O)N1C(C)(C)CC(N(C(=O)CCCCC(N)=O)n2c(O)c3c(c2O)CC(C)CC3)CC1(C)C
InChIInChI=1S/C26H42N4O5/c1-16-11-12-19-20(13-16)24(35)29(23(19)34)28(22(33)10-8-7-9-21(27)32)18-14-25(3,4)30(17(2)31)26(5,6)15-18/h16,18,34-35H,7-15H2,1-6H3,(H2,27,32)
InChIKeyOZZSVVUZCGLYFT-UHFFFAOYSA-N
MW490.65 g/mol
LogP3.10
Rot. Bonds7

About N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide

N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide (PubChem CID 54178321) has the molecular formula C26H42N4O5 and a molecular weight of 490.65 g/mol. Its IUPAC name is N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide.

Molecular Properties

Compound NameN'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide
PubChem CID54178321
Molecular FormulaC26H42N4O5
Molecular Weight490.65 g/mol
Exact Mass490.32
IUPAC NameN'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide
SMILESCC(=O)N1C(C)(C)CC(N(C(=O)CCCCC(N)=O)n2c(O)c3c(c2O)CC(C)CC3)CC1(C)C
InChIInChI=1S/C26H42N4O5/c1-16-11-12-19-20(13-16)24(35)29(23(19)34)28(22(33)10-8-7-9-21(27)32)18-14-25(3,4)30(17(2)31)26(5,6)15-18/h16,18,34-35H,7-15H2,1-6H3,(H2,27,32)
InChIKeyOZZSVVUZCGLYFT-UHFFFAOYSA-N
XLogP3.10
TPSA129.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide?
The IUPAC name of N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide (CID 54178321) is N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide.
What is the SMILES notation for N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide?
The canonical SMILES for N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide is CC(=O)N1C(C)(C)CC(N(C(=O)CCCCC(N)=O)n2c(O)c3c(c2O)CC(C)CC3)CC1(C)C.
What is the InChIKey of N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide?
The InChIKey is OZZSVVUZCGLYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O5/c1-16-11-12-19-20(13-16)24(35)29(23(19)34)28(22(33)10-8-7-9-21(27)32)18-14-25(3,4)30(17(2)31)26(5,6)15-18/h16,18,34-35H,7-15H2,1-6H3,(H2,27,32).
What are the key properties of N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide?
N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide has a molecular weight of 490.65 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide is sourced from PubChem (CID 54178321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).