(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate

C16H29NO3 — CID 20506924

IUPAC(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate
SMILESCCC1(C)CC(OC(=O)CC(C)=O)C(C)C(C)(CC)N1
InChIInChI=1S/C16H29NO3/c1-7-15(5)10-13(20-14(19)9-11(3)18)12(4)16(6,8-2)17-15/h12-13,17H,7-10H2,1-6H3
InChIKeyRQHIDYGXIWDONQ-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.84
Rot. Bonds5

About (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate

(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate (PubChem CID 20506924) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate.

Molecular Properties

Compound Name(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate
PubChem CID20506924
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate
SMILESCCC1(C)CC(OC(=O)CC(C)=O)C(C)C(C)(CC)N1
InChIInChI=1S/C16H29NO3/c1-7-15(5)10-13(20-14(19)9-11(3)18)12(4)16(6,8-2)17-15/h12-13,17H,7-10H2,1-6H3
InChIKeyRQHIDYGXIWDONQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
CID 21330487
(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate
CID 21330362
2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid
CID 23344692
2,6-diethyl-2,3,6-trimethyl-4-propoxypiperidine
CID 140997283
ethyl (E)-3-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyprop-2-enoate
CID 70604850
N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)propanamide
CID 57289781
N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide
CID 70599458
N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide
CID 54167766
1-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 21361280
[(1R,2R,3S)-2,3,4,4-tetramethylcyclopentyl] propanoate
CID 67458091
3-oxobutanoyl 3-oxobutanoate
CID 18751461
bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-dodecylpropanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-ethylpropanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-ethylpropanedioate
CID 159207220

Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate?
The IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate (CID 20506924) is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate.
What is the SMILES notation for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate?
The canonical SMILES for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate is CCC1(C)CC(OC(=O)CC(C)=O)C(C)C(C)(CC)N1.
What is the InChIKey of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate?
The InChIKey is RQHIDYGXIWDONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-7-15(5)10-13(20-14(19)9-11(3)18)12(4)16(6,8-2)17-15/h12-13,17H,7-10H2,1-6H3.
What are the key properties of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate?
(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate has a molecular weight of 283.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate is sourced from PubChem (CID 20506924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).