methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate

C13H22N2O5 — CID 11087384

IUPACmethyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CC(NC(C)=O)C(=O)OC)C1
InChIInChI=1S/C13H22N2O5/c1-9(16)14-11(13(18)20-3)8-15-6-4-5-10(7-15)12(17)19-2/h10-11H,4-8H2,1-3H3,(H,14,16)
InChIKeyJDMHAWFEBAVSCA-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.45
Rot. Bonds5

About methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate

methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate (PubChem CID 11087384) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate
PubChem CID11087384
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Namemethyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CC(NC(C)=O)C(=O)OC)C1
InChIInChI=1S/C13H22N2O5/c1-9(16)14-11(13(18)20-3)8-15-6-4-5-10(7-15)12(17)19-2/h10-11H,4-8H2,1-3H3,(H,14,16)
InChIKeyJDMHAWFEBAVSCA-UHFFFAOYSA-N
XLogP-0.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate (CID 11087384) is methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate is COC(=O)C1CCCN(CC(NC(C)=O)C(=O)OC)C1.
What is the InChIKey of methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate?
The InChIKey is JDMHAWFEBAVSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9(16)14-11(13(18)20-3)8-15-6-4-5-10(7-15)12(17)19-2/h10-11H,4-8H2,1-3H3,(H,14,16).
What are the key properties of methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate?
methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate is sourced from PubChem (CID 11087384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).