methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

C11H19NO4 — CID 143987210

IUPACmethyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCOC(=O)CC1CCN(C(=O)OC)CC1
InChIInChI=1S/C11H19NO4/c1-3-16-10(13)8-9-4-6-12(7-5-9)11(14)15-2/h9H,3-8H2,1-2H3
InChIKeyBVVMMTRMEHOFIW-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.42
Rot. Bonds3

About methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 143987210) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
PubChem CID143987210
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCOC(=O)CC1CCN(C(=O)OC)CC1
InChIInChI=1S/C11H19NO4/c1-3-16-10(13)8-9-4-6-12(7-5-9)11(14)15-2/h9H,3-8H2,1-2H3
InChIKeyBVVMMTRMEHOFIW-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 150128918
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021590
ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
CID 167238016
ethyl 2-[1-[(2S)-2-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate
CID 67406179
methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate
CID 28748566
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
ethyl 2-(1-methanidylpiperidin-1-ium-4-yl)acetate
CID 59130933

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (CID 143987210) is methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate is CCOC(=O)CC1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is BVVMMTRMEHOFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-16-10(13)8-9-4-6-12(7-5-9)11(14)15-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 143987210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).