ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate

C13H21NO4 — CID 2948238

IUPACethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C13H21NO4/c1-2-17-13(16)10-5-3-7-14(9-10)12(15)11-6-4-8-18-11/h10-11H,2-9H2,1H3
InChIKeyXFUYRYWECQBWRT-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.97
Rot. Bonds3

About ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate

ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate (PubChem CID 2948238) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate
PubChem CID2948238
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Nameethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C13H21NO4/c1-2-17-13(16)10-5-3-7-14(9-10)12(15)11-6-4-8-18-11/h10-11H,2-9H2,1H3
InChIKeyXFUYRYWECQBWRT-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate (CID 2948238) is ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CCCO2)C1.
What is the InChIKey of ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is XFUYRYWECQBWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-2-17-13(16)10-5-3-7-14(9-10)12(15)11-6-4-8-18-11/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate?
ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(oxolane-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 2948238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).