ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate

C15H28N2O4 — CID 50853259

IUPACethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-5-20-13(18)12-6-9-17(10-7-12)11-8-16-14(19)21-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyAIHSGAZQMZQXDV-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.79
Rot. Bonds5

About ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate

ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate (PubChem CID 50853259) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate
PubChem CID50853259
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-5-20-13(18)12-6-9-17(10-7-12)11-8-16-14(19)21-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyAIHSGAZQMZQXDV-UHFFFAOYSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate (CID 50853259) is ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate?
The InChIKey is AIHSGAZQMZQXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-20-13(18)12-6-9-17(10-7-12)11-8-16-14(19)21-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19).
What are the key properties of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 50853259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).