ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate

C14H26N2O4 — CID 54837907

IUPACethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NCCCOC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-20-14(18)12-5-8-16(9-6-12)11-13(17)15-7-4-10-19-2/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyOJCWNDISEQIVFF-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.41
Rot. Bonds8

About ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 54837907) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID54837907
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NCCCOC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-20-14(18)12-5-8-16(9-6-12)11-13(17)15-7-4-10-19-2/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyOJCWNDISEQIVFF-UHFFFAOYSA-N
XLogP0.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837933
4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 62027456
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 34681202
2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 54956649
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 27152328
1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55911947
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate (CID 54837907) is ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)NCCCOC)CC1.
What is the InChIKey of ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is OJCWNDISEQIVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-20-14(18)12-5-8-16(9-6-12)11-13(17)15-7-4-10-19-2/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 54837907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).