1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate

C11H17NO5 — CID 135376915

IUPAC1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate
SMILESCCOC(=O)CC(=O)OC(=O)N1CCCCC1
InChIInChI=1S/C11H17NO5/c1-2-16-9(13)8-10(14)17-11(15)12-6-4-3-5-7-12/h2-8H2,1H3
InChIKeyCBHKVSRUVGIRMG-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.09
Rot. Bonds3

About 1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate

1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate (PubChem CID 135376915) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate.

Molecular Properties

Compound Name1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate
PubChem CID135376915
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate
SMILESCCOC(=O)CC(=O)OC(=O)N1CCCCC1
InChIInChI=1S/C11H17NO5/c1-2-16-9(13)8-10(14)17-11(15)12-6-4-3-5-7-12/h2-8H2,1H3
InChIKeyCBHKVSRUVGIRMG-UHFFFAOYSA-N
XLogP1.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate?
The IUPAC name of 1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate (CID 135376915) is 1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate.
What is the SMILES notation for 1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate?
The canonical SMILES for 1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate is CCOC(=O)CC(=O)OC(=O)N1CCCCC1.
What is the InChIKey of 1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate?
The InChIKey is CBHKVSRUVGIRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-16-9(13)8-10(14)17-11(15)12-6-4-3-5-7-12/h2-8H2,1H3.
What are the key properties of 1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate?
1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate has a molecular weight of 243.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 3-O-(piperidine-1-carbonyl) propanedioate is sourced from PubChem (CID 135376915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).