2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen

C17H33NO4 — CID 159289923

IUPAC2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen
SMILESCOC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1.[H][H]
InChIInChI=1S/C17H31NO4.H2/c1-13(19)7-8-15(20)22-10-9-18-16(2,3)11-14(21-6)12-17(18,4)5;/h14H,7-12H2,1-6H3;1H
InChIKeyKZZFTKCVYLLOHY-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.81
Rot. Bonds7

About 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen

2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen (PubChem CID 159289923) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen.

Molecular Properties

Compound Name2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen
PubChem CID159289923
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Name2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen
SMILESCOC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1.[H][H]
InChIInChI=1S/C17H31NO4.H2/c1-13(19)7-8-15(20)22-10-9-18-16(2,3)11-14(21-6)12-17(18,4)5;/h14H,7-12H2,1-6H3;1H
InChIKeyKZZFTKCVYLLOHY-UHFFFAOYSA-N
XLogP2.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen with MolForge

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Related Compounds

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
CID 91484074
4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate
CID 22900076
2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate
CID 123960864
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
CID 123159299
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate
CID 146366977
4-N-cyclohexyl-6-methyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;hydroxy-dimethyl-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]silane;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;molecular hydrogen
CID 159060990
6-methoxyhexyl 4-oxopentanoate
CID 89458517
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl but-2-enedioate
CID 123594724
4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid
CID 67533775
1-ethyl-4-methoxy-2,2,6,6-tetramethylpiperidine;3-methoxypentane;1-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-one
CID 158895889
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen?
The IUPAC name of 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen (CID 159289923) is 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen.
What is the SMILES notation for 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen?
The canonical SMILES for 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen is COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1.[H][H].
What is the InChIKey of 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen?
The InChIKey is KZZFTKCVYLLOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4.H2/c1-13(19)7-8-15(20)22-10-9-18-16(2,3)11-14(21-6)12-17(18,4)5;/h14H,7-12H2,1-6H3;1H.
What are the key properties of 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen?
2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen has a molecular weight of 315.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen is sourced from PubChem (CID 159289923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).