(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate

C14H25NO3 — CID 15702334

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate
SMILESCC(=O)CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H25NO3/c1-10(16)7-12(17)18-11-8-13(2,3)15(6)14(4,5)9-11/h11H,7-9H2,1-6H3
InChIKeyFGINVENOQLDIEG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.16
Rot. Bonds3

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate (PubChem CID 15702334) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate
PubChem CID15702334
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate
SMILESCC(=O)CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H25NO3/c1-10(16)7-12(17)18-11-8-13(2,3)15(6)14(4,5)9-11/h11H,7-9H2,1-6H3
InChIKeyFGINVENOQLDIEG-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate (CID 15702334) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate is CC(=O)CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate?
The InChIKey is FGINVENOQLDIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(16)7-12(17)18-11-8-13(2,3)15(6)14(4,5)9-11/h11H,7-9H2,1-6H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate has a molecular weight of 255.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-oxobutanoate is sourced from PubChem (CID 15702334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).