ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate

C17H30N2O6 — CID 18335648

IUPACethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate
SMILESCCOC(=O)COC1CCN(C(=O)C(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N2O6/c1-6-23-14(20)11-24-13-7-9-19(10-8-13)15(21)12(2)18-16(22)25-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,22)
InChIKeyLISVEWLQDAZGKA-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.47
Rot. Bonds6

About ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate

ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate (PubChem CID 18335648) has the molecular formula C17H30N2O6 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate
PubChem CID18335648
Molecular FormulaC17H30N2O6
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Nameethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate
SMILESCCOC(=O)COC1CCN(C(=O)C(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N2O6/c1-6-23-14(20)11-24-13-7-9-19(10-8-13)15(21)12(2)18-16(22)25-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,22)
InChIKeyLISVEWLQDAZGKA-UHFFFAOYSA-N
XLogP1.47
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(4-carbamoylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 24688681
ethyl 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetate
CID 138693308
ethyl 2-[1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidin-4-yl]oxyacetate
CID 10811208
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetate
CID 138696066
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl N-[(2R)-1-(3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 71279861
tert-butyl 9-(2-ethoxy-2-oxoethoxy)-3-azaspiro[5.5]undecane-3-carboxylate
CID 178069186
tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate
CID 124727874
tert-butyl N-[1-(3-azabicyclo[3.2.0]heptan-3-yl)-1-oxopropan-2-yl]carbamate
CID 175191269
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 119664074
ethyl 4-[(2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
CID 68600107
tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate
CID 50987865

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate?
The IUPAC name of ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate (CID 18335648) is ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate?
The canonical SMILES for ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate is CCOC(=O)COC1CCN(C(=O)C(C)NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate?
The InChIKey is LISVEWLQDAZGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O6/c1-6-23-14(20)11-24-13-7-9-19(10-8-13)15(21)12(2)18-16(22)25-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,22).
What are the key properties of ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate?
ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate has a molecular weight of 358.44 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate is sourced from PubChem (CID 18335648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).