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

C13H21NO3 — CID 79553561

IUPACmethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C13H21NO3/c1-17-13(16)14-9-5-4-7-11(14)10-6-2-3-8-12(10)15/h10-11H,2-9H2,1H3
InChIKeyUVBDETZPUJRDSB-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.37
Rot. Bonds1

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

methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate (PubChem CID 79553561) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate
PubChem CID79553561
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C13H21NO3/c1-17-13(16)14-9-5-4-7-11(14)10-6-2-3-8-12(10)15/h10-11H,2-9H2,1H3
InChIKeyUVBDETZPUJRDSB-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate?
The IUPAC name of methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate (CID 79553561) is methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate is COC(=O)N1CCCCC1C1CCCCC1=O.
What is the InChIKey of methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate?
The InChIKey is UVBDETZPUJRDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-17-13(16)14-9-5-4-7-11(14)10-6-2-3-8-12(10)15/h10-11H,2-9H2,1H3.
What are the key properties of methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate?
methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxocyclohexyl)piperidine-1-carboxylate is sourced from PubChem (CID 79553561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).