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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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).