ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate

C13H17NO4 — CID 646328

IUPACethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H17NO4/c1-2-17-13(16)10-5-7-14(8-6-10)12(15)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyGZBGPLYWYCOXHU-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.69
Rot. Bonds3

About ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 646328) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID646328
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H17NO4/c1-2-17-13(16)10-5-7-14(8-6-10)12(15)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyGZBGPLYWYCOXHU-UHFFFAOYSA-N
XLogP1.69
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 646328) is ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is GZBGPLYWYCOXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-17-13(16)10-5-7-14(8-6-10)12(15)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 646328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).