ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate

C14H19NO4 — CID 4789502

IUPACethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(C)o2)CC1
InChIInChI=1S/C14H19NO4/c1-3-18-14(17)11-6-8-15(9-7-11)13(16)12-5-4-10(2)19-12/h4-5,11H,3,6-9H2,1-2H3
InChIKeyZPSCMMRYHZIEOZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.00
Rot. Bonds3

About ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate (PubChem CID 4789502) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate
PubChem CID4789502
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(C)o2)CC1
InChIInChI=1S/C14H19NO4/c1-3-18-14(17)11-6-8-15(9-7-11)13(16)12-5-4-10(2)19-12/h4-5,11H,3,6-9H2,1-2H3
InChIKeyZPSCMMRYHZIEOZ-UHFFFAOYSA-N
XLogP2.00
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate (CID 4789502) is ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(C)o2)CC1.
What is the InChIKey of ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is ZPSCMMRYHZIEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-18-14(17)11-6-8-15(9-7-11)13(16)12-5-4-10(2)19-12/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 4789502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).