CAS 479630-08-5|tert-butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate|tert-butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate|tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)tetrahydro-1(2H)-p...

General Information

Structure

Molecular Formula

C₁₅H₂₅NO₅

Molecular Mass

299.3627

Exact Mass

299.17327291

Charge

InChI

InChI=1S/C15H25NO5/c1-5-20-13(18)10-12(17)11-6-8-16(9-7-11)14(19)21-15(2,3)4/h11H,5-10H2,1-4H3

InChIKey

CWTULLANCDLMGK-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

C(=O)(N1CCC(C(=O)CC(=O)OCC)CC1)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

10.160657

H Acceptors

H Donor

LogD (pH = 5.5)

1.8879718

LogD (pH = 7.4)

1.8872291

Log P

1.8879812

Molar Refractivity

77.4833

Polarizability

30.437336

Polar Surface Area

72.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

tert-butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate

IUPAC name

tert-butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate

Synonyms

tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)tetrahydro-1(2H)-pyridinecarboxylateEthyl 3-[1-(tert-butoxycarbonyl)piperidin-4-yl]-3-oxopropanoatetert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate1-(tert-Butoxycarbonyl)-4-(3-ethoxy-3-oxopropanoyl)piperidine4-(3-Ethoxy-3-oxopropanoyl)piperidine, N-BOC protectedTERT-BUTYL 4-(3-ETHOXY-3-OXOPROPANOYL)PIPERIDINE-1-CARBOXYLATE

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers