ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate

C14H23NO3 — CID 79553250

IUPACethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C14H23NO3/c1-2-18-14(17)15-10-6-5-8-12(15)11-7-3-4-9-13(11)16/h11-12H,2-10H2,1H3
InChIKeyGRKKJFFFLSNLKK-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.76
Rot. Bonds2

About ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate

ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate (PubChem CID 79553250) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate
PubChem CID79553250
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C14H23NO3/c1-2-18-14(17)15-10-6-5-8-12(15)11-7-3-4-9-13(11)16/h11-12H,2-10H2,1H3
InChIKeyGRKKJFFFLSNLKK-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate (CID 79553250) is ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate is CCOC(=O)N1CCCCC1C1CCCCC1=O.
What is the InChIKey of ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate?
The InChIKey is GRKKJFFFLSNLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-18-14(17)15-10-6-5-8-12(15)11-7-3-4-9-13(11)16/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate?
ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate is sourced from PubChem (CID 79553250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).