methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate

C13H24N2O4 — CID 124908075

IUPACmethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)14-15-7-5-10(6-8-15)9-11(16)18-4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyJMOWPCNZVVLINW-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.70
Rot. Bonds3

About methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate

methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate (PubChem CID 124908075) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
PubChem CID124908075
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)14-15-7-5-10(6-8-15)9-11(16)18-4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyJMOWPCNZVVLINW-UHFFFAOYSA-N
XLogP1.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate with MolForge

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Related Compounds

tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane
CID 144612195
tert-butyl N-(4-methoxypiperazin-1-yl)carbamate
CID 59857801
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate
CID 175200745
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 2-[4-[2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl]acetate
CID 142441432
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate
CID 171697727
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate (CID 124908075) is methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate is COC(=O)CC1CCN(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate?
The InChIKey is JMOWPCNZVVLINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)14-15-7-5-10(6-8-15)9-11(16)18-4/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate?
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate has a molecular weight of 272.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate is sourced from PubChem (CID 124908075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).