ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate

C11H19NO5 — CID 45122540

IUPACethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=O)C(OCCOC)C1
InChIInChI=1S/C11H19NO5/c1-3-16-11(14)12-5-4-9(13)10(8-12)17-7-6-15-2/h10H,3-8H2,1-2H3
InChIKeyMRVZMQWKNGADQV-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.45
Rot. Bonds5

About ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate

ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate (PubChem CID 45122540) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate
PubChem CID45122540
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Nameethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=O)C(OCCOC)C1
InChIInChI=1S/C11H19NO5/c1-3-16-11(14)12-5-4-9(13)10(8-12)17-7-6-15-2/h10H,3-8H2,1-2H3
InChIKeyMRVZMQWKNGADQV-UHFFFAOYSA-N
XLogP0.45
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate?
The IUPAC name of ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate (CID 45122540) is ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate is CCOC(=O)N1CCC(=O)C(OCCOC)C1.
What is the InChIKey of ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate?
The InChIKey is MRVZMQWKNGADQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-16-11(14)12-5-4-9(13)10(8-12)17-7-6-15-2/h10H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate?
ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate has a molecular weight of 245.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 45122540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).