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

C12H22N2O4 — CID 14537079

IUPACmethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)OC(C)(C)C)CCNCC1
InChIInChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h13H,5-8H2,1-4H3,(H,14,16)
InChIKeyXWBFIPVPQLAHMA-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.81
Rot. Bonds2

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

methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate (PubChem CID 14537079) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
PubChem CID14537079
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)OC(C)(C)C)CCNCC1
InChIInChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h13H,5-8H2,1-4H3,(H,14,16)
InChIKeyXWBFIPVPQLAHMA-UHFFFAOYSA-N
XLogP0.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The IUPAC name of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate (CID 14537079) is methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The canonical SMILES for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate is COC(=O)C1(NC(=O)OC(C)(C)C)CCNCC1.
What is the InChIKey of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The InChIKey is XWBFIPVPQLAHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h13H,5-8H2,1-4H3,(H,14,16).
What are the key properties of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate is sourced from PubChem (CID 14537079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).