[4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate

C32H58N4O6 — CID 67852791

IUPAC[4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate
SMILESCC(=O)ON1C(C)(C)CC(N(CCCCCCN(C(C)=O)C2CC(C)(C)N(OC(C)=O)C(C)(C)C2)C(C)=O)CC1(C)C
InChIInChI=1S/C32H58N4O6/c1-23(37)33(27-19-29(5,6)35(41-25(3)39)30(7,8)20-27)17-15-13-14-16-18-34(24(2)38)28-21-31(9,10)36(42-26(4)40)32(11,12)22-28/h27-28H,13-22H2,1-12H3
InChIKeyXNAVTWBHCGEXCF-UHFFFAOYSA-N
MW594.84 g/mol
LogP5.24
Rot. Bonds11

About [4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate

[4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate (PubChem CID 67852791) has the molecular formula C32H58N4O6 and a molecular weight of 594.84 g/mol. Its IUPAC name is [4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate.

Molecular Properties

Compound Name[4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate
PubChem CID67852791
Molecular FormulaC32H58N4O6
Molecular Weight594.84 g/mol
Exact Mass594.44
IUPAC Name[4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate
SMILESCC(=O)ON1C(C)(C)CC(N(CCCCCCN(C(C)=O)C2CC(C)(C)N(OC(C)=O)C(C)(C)C2)C(C)=O)CC1(C)C
InChIInChI=1S/C32H58N4O6/c1-23(37)33(27-19-29(5,6)35(41-25(3)39)30(7,8)20-27)17-15-13-14-16-18-34(24(2)38)28-21-31(9,10)36(42-26(4)40)32(11,12)22-28/h27-28H,13-22H2,1-12H3
InChIKeyXNAVTWBHCGEXCF-UHFFFAOYSA-N
XLogP5.24
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.84
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 [4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
The IUPAC name of [4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate (CID 67852791) is [4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate.
What is the SMILES notation for [4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
The canonical SMILES for [4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate is CC(=O)ON1C(C)(C)CC(N(CCCCCCN(C(C)=O)C2CC(C)(C)N(OC(C)=O)C(C)(C)C2)C(C)=O)CC1(C)C.
What is the InChIKey of [4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
The InChIKey is XNAVTWBHCGEXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N4O6/c1-23(37)33(27-19-29(5,6)35(41-25(3)39)30(7,8)20-27)17-15-13-14-16-18-34(24(2)38)28-21-31(9,10)36(42-26(4)40)32(11,12)22-28/h27-28H,13-22H2,1-12H3.
What are the key properties of [4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
[4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate has a molecular weight of 594.84 g/mol, XLogP of 5.24, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[acetyl-[6-[acetyl-(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate is sourced from PubChem (CID 67852791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).