ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate

C14H26N2O4 — CID 133061149

IUPACethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
SMILESCCOC(=O)C(NC(=O)OC(C)(C)C)C1CCCNC1
InChIInChI=1S/C14H26N2O4/c1-5-19-12(17)11(10-7-6-8-15-9-10)16-13(18)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyIGCBKZGDGOWPNG-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.44
Rot. Bonds4

About ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate

ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate (PubChem CID 133061149) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
PubChem CID133061149
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
SMILESCCOC(=O)C(NC(=O)OC(C)(C)C)C1CCCNC1
InChIInChI=1S/C14H26N2O4/c1-5-19-12(17)11(10-7-6-8-15-9-10)16-13(18)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyIGCBKZGDGOWPNG-UHFFFAOYSA-N
XLogP1.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133063896
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate
CID 71479909
tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate
CID 52911112
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
CID 86309585
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate
CID 107241698
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
ethyl (2S,3S)-3-cyclopropyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 139807127
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
CID 102548857
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(piperidin-3-ylamino)butanoate
CID 70113833

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate (CID 133061149) is ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate is CCOC(=O)C(NC(=O)OC(C)(C)C)C1CCCNC1.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate?
The InChIKey is IGCBKZGDGOWPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-19-12(17)11(10-7-6-8-15-9-10)16-13(18)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,18).
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate?
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate has a molecular weight of 286.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate is sourced from PubChem (CID 133061149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).