diethyl 2-(2-piperidin-1-ylethoxy)propanedioate

C14H25NO5 — CID 57233413

IUPACdiethyl 2-(2-piperidin-1-ylethoxy)propanedioate
SMILESCCOC(=O)C(OCCN1CCCCC1)C(=O)OCC
InChIInChI=1S/C14H25NO5/c1-3-18-13(16)12(14(17)19-4-2)20-11-10-15-8-6-5-7-9-15/h12H,3-11H2,1-2H3
InChIKeyKNVRNNNWZDAUKL-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.98
Rot. Bonds8

About diethyl 2-(2-piperidin-1-ylethoxy)propanedioate

diethyl 2-(2-piperidin-1-ylethoxy)propanedioate (PubChem CID 57233413) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is diethyl 2-(2-piperidin-1-ylethoxy)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2-piperidin-1-ylethoxy)propanedioate
PubChem CID57233413
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Namediethyl 2-(2-piperidin-1-ylethoxy)propanedioate
SMILESCCOC(=O)C(OCCN1CCCCC1)C(=O)OCC
InChIInChI=1S/C14H25NO5/c1-3-18-13(16)12(14(17)19-4-2)20-11-10-15-8-6-5-7-9-15/h12H,3-11H2,1-2H3
InChIKeyKNVRNNNWZDAUKL-UHFFFAOYSA-N
XLogP0.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-ylethyl 2-methylbutanoate
CID 20697106
1-[2-[1-[2-(azepan-1-yl)ethoxy]ethoxy]ethyl]azepane
CID 57016594
diethyl 2-(3-piperidin-1-ylpropyl)butanedioate
CID 90300751
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
2-piperidin-1-ylethyl hexanoate
CID 59204070
2-piperidin-1-ylethyl heptadecanoate
CID 118631056
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
1-(2-ethoxyethyl)piperidine
CID 22622871
1-[2-(1-iodoethoxy)ethyl]piperidine
CID 134214005
ethyl 2-(azocan-1-yl)acetate
CID 25219274
1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine
CID 147408138
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-piperidin-1-ylethoxy)propanedioate?
The IUPAC name of diethyl 2-(2-piperidin-1-ylethoxy)propanedioate (CID 57233413) is diethyl 2-(2-piperidin-1-ylethoxy)propanedioate.
What is the SMILES notation for diethyl 2-(2-piperidin-1-ylethoxy)propanedioate?
The canonical SMILES for diethyl 2-(2-piperidin-1-ylethoxy)propanedioate is CCOC(=O)C(OCCN1CCCCC1)C(=O)OCC.
What is the InChIKey of diethyl 2-(2-piperidin-1-ylethoxy)propanedioate?
The InChIKey is KNVRNNNWZDAUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-3-18-13(16)12(14(17)19-4-2)20-11-10-15-8-6-5-7-9-15/h12H,3-11H2,1-2H3.
What are the key properties of diethyl 2-(2-piperidin-1-ylethoxy)propanedioate?
diethyl 2-(2-piperidin-1-ylethoxy)propanedioate has a molecular weight of 287.36 g/mol, XLogP of 0.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-piperidin-1-ylethoxy)propanedioate is sourced from PubChem (CID 57233413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).