N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide

C15H30N2O2 — CID 22182250

IUPACN-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide
SMILESCCCCN(C(C)=O)C1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C15H30N2O2/c1-7-8-9-16(12(2)18)13-10-14(3,4)17(19)15(5,6)11-13/h13,17H,7-11H2,1-6H3
InChIKeyMVKZFOADZWQGGR-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.74
Rot. Bonds4

About N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide

N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide (PubChem CID 22182250) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide
PubChem CID22182250
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide
SMILESCCCCN(C(C)=O)C1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C15H30N2O2/c1-7-8-9-16(12(2)18)13-10-14(3,4)17(19)15(5,6)11-13/h13,17H,7-11H2,1-6H3
InChIKeyMVKZFOADZWQGGR-UHFFFAOYSA-N
XLogP1.74
TPSA47.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide?
The IUPAC name of N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide (CID 22182250) is N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide.
What is the SMILES notation for N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide?
The canonical SMILES for N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide is CCCCN(C(C)=O)C1CC(C)(C)[NH+]([O-])C(C)(C)C1.
What is the InChIKey of N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide?
The InChIKey is MVKZFOADZWQGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-8-9-16(12(2)18)13-10-14(3,4)17(19)15(5,6)11-13/h13,17H,7-11H2,1-6H3.
What are the key properties of N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide?
N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide has a molecular weight of 270.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide is sourced from PubChem (CID 22182250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).