[4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate

C21H38N2O4 — CID 20792534

IUPAC[4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(=O)N(C(=O)C(C)(C)C)C1CC(C)(C)N(OC(=O)C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C21H38N2O4/c1-14(24)22(16(25)18(2,3)4)15-12-20(8,9)23(21(10,11)13-15)27-17(26)19(5,6)7/h15H,12-13H2,1-11H3
InChIKeyYKUIXYYBWNJABC-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.93
Rot. Bonds2

About [4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate

[4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 20792534) has the molecular formula C21H38N2O4 and a molecular weight of 382.55 g/mol. Its IUPAC name is [4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID20792534
Molecular FormulaC21H38N2O4
Molecular Weight382.55 g/mol
Exact Mass382.28
IUPAC Name[4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(=O)N(C(=O)C(C)(C)C)C1CC(C)(C)N(OC(=O)C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C21H38N2O4/c1-14(24)22(16(25)18(2,3)4)15-12-20(8,9)23(21(10,11)13-15)27-17(26)19(5,6)7/h15H,12-13H2,1-11H3
InChIKeyYKUIXYYBWNJABC-UHFFFAOYSA-N
XLogP3.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate (CID 20792534) is [4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate is CC(=O)N(C(=O)C(C)(C)C)C1CC(C)(C)N(OC(=O)C(C)(C)C)C(C)(C)C1.
What is the InChIKey of [4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is YKUIXYYBWNJABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O4/c1-14(24)22(16(25)18(2,3)4)15-12-20(8,9)23(21(10,11)13-15)27-17(26)19(5,6)7/h15H,12-13H2,1-11H3.
What are the key properties of [4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate?
[4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 382.55 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 20792534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).