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

C17H30N2O5 — CID 52774689

IUPACethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N2O5/c1-7-23-13(20)12-8-10-19(11-9-12)14(21)17(5,6)18-15(22)24-16(2,3)4/h12H,7-11H2,1-6H3,(H,18,22)
InChIKeyRDTHLZOZLUGBBW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.09
Rot. Bonds4

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

ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate (PubChem CID 52774689) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate
PubChem CID52774689
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Nameethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N2O5/c1-7-23-13(20)12-8-10-19(11-9-12)14(21)17(5,6)18-15(22)24-16(2,3)4/h12H,7-11H2,1-6H3,(H,18,22)
InChIKeyRDTHLZOZLUGBBW-UHFFFAOYSA-N
XLogP2.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate (CID 52774689) is ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate?
The InChIKey is RDTHLZOZLUGBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-7-23-13(20)12-8-10-19(11-9-12)14(21)17(5,6)18-15(22)24-16(2,3)4/h12H,7-11H2,1-6H3,(H,18,22).
What are the key properties of ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 52774689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).