ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate

C12H22N2O4 — CID 58928695

IUPACethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)OC1CCN(C)CC1
InChIInChI=1S/C12H22N2O4/c1-4-17-11(15)9(2)13-12(16)18-10-5-7-14(3)8-6-10/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyFNACMHQOHRTWME-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.76
Rot. Bonds4

About ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate

ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate (PubChem CID 58928695) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate
PubChem CID58928695
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)OC1CCN(C)CC1
InChIInChI=1S/C12H22N2O4/c1-4-17-11(15)9(2)13-12(16)18-10-5-7-14(3)8-6-10/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyFNACMHQOHRTWME-UHFFFAOYSA-N
XLogP0.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 114515449
(1-methylpiperidin-4-yl) 2-sulfanylpropanoate
CID 107018228
N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol
CID 91506556
[(3S)-1-methylpyrrolidin-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156835543
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 115649950
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
(1-methylpiperidin-4-yl) N-(2-chloroethyl)carbamate
CID 15229090
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl (2S)-2-acetamidopropanoate
CID 11805045
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate?
The IUPAC name of ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate (CID 58928695) is ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate?
The canonical SMILES for ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate is CCOC(=O)C(C)NC(=O)OC1CCN(C)CC1.
What is the InChIKey of ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate?
The InChIKey is FNACMHQOHRTWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-17-11(15)9(2)13-12(16)18-10-5-7-14(3)8-6-10/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate?
ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate has a molecular weight of 258.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 58928695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).