(2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate

C16H30N2O4 — CID 102251767

IUPAC(2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate
SMILESCON(C)C(=O)CCCC(=O)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C16H30N2O4/c1-15(2)11-8-12-16(3,4)18(15)22-14(20)10-7-9-13(19)17(5)21-6/h7-12H2,1-6H3
InChIKeyNTHXWODUROBKFY-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.68
Rot. Bonds6

About (2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate

(2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate (PubChem CID 102251767) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate
PubChem CID102251767
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name(2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate
SMILESCON(C)C(=O)CCCC(=O)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C16H30N2O4/c1-15(2)11-8-12-16(3,4)18(15)22-14(20)10-7-9-13(19)17(5)21-6/h7-12H2,1-6H3
InChIKeyNTHXWODUROBKFY-UHFFFAOYSA-N
XLogP2.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,2,6,6-tetramethylpiperidin-1-yl) N,N-dimethylcarbamate
CID 10242897
(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen carbonate
CID 22150807
methyl 5-(dimethylamino)-5-oxopentanoate
CID 11615262
N-methoxy-N,5,5-trimethylhexanamide
CID 89296256
(2,2,6,6-tetramethylpiperidin-1-yl) 6-hydroxy-8-phenyl-6-(2-phenylethynyl)oct-7-ynoate
CID 11397293
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
CID 113359635
2-(azetidin-1-yl)-N-methoxy-N-methylacetamide
CID 131222770
(2,2,6,6-tetramethylpiperidin-1-yl) N-methylcarbamate
CID 167207080
4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
CID 166722696
4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide
CID 114125198
(2,2,6,6-tetramethylpiperidin-1-yl) (E)-but-2-enoate
CID 66660803
3-cyclobutyl-N-methoxy-N-methylpropanamide
CID 142020643

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate (CID 102251767) is (2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate is CON(C)C(=O)CCCC(=O)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate?
The InChIKey is NTHXWODUROBKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-15(2)11-8-12-16(3,4)18(15)22-14(20)10-7-9-13(19)17(5)21-6/h7-12H2,1-6H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate?
(2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate has a molecular weight of 314.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-1-yl) 5-[methoxy(methyl)amino]-5-oxopentanoate is sourced from PubChem (CID 102251767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).