methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate

C12H22N2O4 — CID 45358600

IUPACmethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
SMILESCOC(=O)C1CNCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-9-5-8(6-13-7-9)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyNFLXTMHXWFFYGU-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.66
Rot. Bonds2

About methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate

methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate (PubChem CID 45358600) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
PubChem CID45358600
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
SMILESCOC(=O)C1CNCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-9-5-8(6-13-7-9)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyNFLXTMHXWFFYGU-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate?
The IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate (CID 45358600) is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate?
The canonical SMILES for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate is COC(=O)C1CNCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate?
The InChIKey is NFLXTMHXWFFYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-9-5-8(6-13-7-9)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16).
What are the key properties of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate?
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate is sourced from PubChem (CID 45358600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).