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

C25H48N2O3 — CID 19090586

IUPAC[4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate
SMILESCCCCCCCCCCCCN(C(C)=O)C1CC(C)(C)N(OC(C)=O)C(C)(C)C1
InChIInChI=1S/C25H48N2O3/c1-8-9-10-11-12-13-14-15-16-17-18-26(21(2)28)23-19-24(4,5)27(30-22(3)29)25(6,7)20-23/h23H,8-20H2,1-7H3
InChIKeyAYAXSURGCYZKMT-UHFFFAOYSA-N
MW424.67 g/mol
LogP6.26
Rot. Bonds13

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

[4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate (PubChem CID 19090586) has the molecular formula C25H48N2O3 and a molecular weight of 424.67 g/mol. Its IUPAC name is [4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate.

Molecular Properties

Compound Name[4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate
PubChem CID19090586
Molecular FormulaC25H48N2O3
Molecular Weight424.67 g/mol
Exact Mass424.37
IUPAC Name[4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate
SMILESCCCCCCCCCCCCN(C(C)=O)C1CC(C)(C)N(OC(C)=O)C(C)(C)C1
InChIInChI=1S/C25H48N2O3/c1-8-9-10-11-12-13-14-15-16-17-18-26(21(2)28)23-19-24(4,5)27(30-22(3)29)25(6,7)20-23/h23H,8-20H2,1-7H3
InChIKeyAYAXSURGCYZKMT-UHFFFAOYSA-N
XLogP6.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(acetyloxy)-2,2,6,6-tetramethyl-4-piperidinyl]acetamide
CID 708862
[4-[Butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate
CID 143109203
CID 177498131
CID 177498131
N-cyclohexyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 19989071
N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecanamide
CID 20590975
N-butyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)nonanamide
CID 20590976
[4-[Acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate
CID 20792534
[4-[Acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate
CID 22182271
1-[4-[Butyl(hydroxy)amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
CID 22902715
N-(1-acetyl-2,2,6,6-tetramethyl-1-propylpiperidin-1-ium-4-yl)methanimine oxide
CID 23174118
N-Butyl-N-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 66649397
[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

Frequently Asked Questions

What is the IUPAC name of [4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
The IUPAC name of [4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate (CID 19090586) is [4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate.
What is the SMILES notation for [4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
The canonical SMILES for [4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate is CCCCCCCCCCCCN(C(C)=O)C1CC(C)(C)N(OC(C)=O)C(C)(C)C1.
What is the InChIKey of [4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
The InChIKey is AYAXSURGCYZKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O3/c1-8-9-10-11-12-13-14-15-16-17-18-26(21(2)28)23-19-24(4,5)27(30-22(3)29)25(6,7)20-23/h23H,8-20H2,1-7H3.
What are the key properties of [4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
[4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate has a molecular weight of 424.67 g/mol, XLogP of 6.26, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[acetyl(dodecyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate is sourced from PubChem (CID 19090586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).