[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate

C13H23NO4 — CID 91068339

IUPAC[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate
SMILESCC(OC(=O)N1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-10(11(15)18-13(2,3)4)17-12(16)14-8-6-5-7-9-14/h10H,5-9H2,1-4H3
InChIKeyMVMVWUGIHWEWLR-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.34
Rot. Bonds2

About [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate

[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate (PubChem CID 91068339) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate
PubChem CID91068339
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate
SMILESCC(OC(=O)N1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-10(11(15)18-13(2,3)4)17-12(16)14-8-6-5-7-9-14/h10H,5-9H2,1-4H3
InChIKeyMVMVWUGIHWEWLR-UHFFFAOYSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
CID 134419210
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
CID 118272075
[(2-methylpropan-2-yl)oxycarbonylamino] azepane-1-carboxylate
CID 175316788
3-methylbutan-2-yl piperidine-1-carboxylate
CID 127537756
[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-hydroxypropanoate
CID 58669031
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate
CID 170530123
(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate
CID 169006679

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate?
The IUPAC name of [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate (CID 91068339) is [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate.
What is the SMILES notation for [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate?
The canonical SMILES for [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate is CC(OC(=O)N1CCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate?
The InChIKey is MVMVWUGIHWEWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(11(15)18-13(2,3)4)17-12(16)14-8-6-5-7-9-14/h10H,5-9H2,1-4H3.
What are the key properties of [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate?
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate is sourced from PubChem (CID 91068339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).