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

C15H26N2O5 — CID 665087

IUPACethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O5/c1-5-21-13(19)11-6-8-17(9-7-11)12(18)10-16-14(20)22-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,20)
InChIKeyRWTIEPZTGZKZKK-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.31
Rot. Bonds4

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

ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate (PubChem CID 665087) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate
PubChem CID665087
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nameethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O5/c1-5-21-13(19)11-6-8-17(9-7-11)12(18)10-16-14(20)22-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,20)
InChIKeyRWTIEPZTGZKZKK-UHFFFAOYSA-N
XLogP1.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.31
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]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate (CID 665087) is ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate?
The InChIKey is RWTIEPZTGZKZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-5-21-13(19)11-6-8-17(9-7-11)12(18)10-16-14(20)22-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,20).
What are the key properties of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 1.31, 4 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]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 665087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).