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

C14H26N2O4 — CID 23565283

IUPACethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-5-19-12(17)10-16-8-6-11(7-9-16)15-13(18)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyQATVIYNHFRNTPB-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.54
Rot. Bonds4

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

ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate (PubChem CID 23565283) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate
PubChem CID23565283
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-5-19-12(17)10-16-8-6-11(7-9-16)15-13(18)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyQATVIYNHFRNTPB-UHFFFAOYSA-N
XLogP1.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate (CID 23565283) is ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate is CCOC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate?
The InChIKey is QATVIYNHFRNTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-19-12(17)10-16-8-6-11(7-9-16)15-13(18)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18).
What are the key properties of ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate?
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate has a molecular weight of 286.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate is sourced from PubChem (CID 23565283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).