methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate

C11H19NO3 — CID 134856290

IUPACmethyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)N1[C@H](CC(C)=O)CCC[C@@H]1C
InChIInChI=1S/C11H19NO3/c1-8-5-4-6-10(7-9(2)13)12(8)11(14)15-3/h8,10H,4-7H2,1-3H3/t8-,10-/m0/s1
InChIKeyKNGUJXFGIXHCGH-WPRPVWTQSA-N
MW213.28 g/mol
LogP1.97
Rot. Bonds2

About methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate

methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate (PubChem CID 134856290) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate
PubChem CID134856290
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)N1[C@H](CC(C)=O)CCC[C@@H]1C
InChIInChI=1S/C11H19NO3/c1-8-5-4-6-10(7-9(2)13)12(8)11(14)15-3/h8,10H,4-7H2,1-3H3/t8-,10-/m0/s1
InChIKeyKNGUJXFGIXHCGH-WPRPVWTQSA-N
XLogP1.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 123814429
tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate
CID 116685387
tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate
CID 104892491
methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate
CID 101061873
1-[2-methyl-6-(methylaminomethyl)piperidin-1-yl]ethanone
CID 166977860
methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047
2-methoxyethyl 2,6-dimethylpiperidine-1-carboxylate
CID 142740059
methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate
CID 10727314
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
N-(methoxymethyl)-2,6-dimethylpiperidine-1-carboxamide
CID 110675943
tert-butyl 2-methyl-6-(2-oxo-2-thiophen-2-ylethyl)piperidine-1-carboxylate
CID 104892458
dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate (CID 134856290) is methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate is COC(=O)N1[C@H](CC(C)=O)CCC[C@@H]1C.
What is the InChIKey of methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate?
The InChIKey is KNGUJXFGIXHCGH-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-5-4-6-10(7-9(2)13)12(8)11(14)15-3/h8,10H,4-7H2,1-3H3/t8-,10-/m0/s1.
What are the key properties of methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate?
methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 134856290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).