ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate

C14H26N2O5 — CID 103235028

IUPACethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)COCCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O5/c1-3-20-13(17)11-19-10-7-15-12-5-8-16(9-6-12)14(18)21-4-2/h12,15H,3-11H2,1-2H3
InChIKeyZEQOHSXZCIXXOS-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.78
Rot. Bonds8

About ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate (PubChem CID 103235028) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate
PubChem CID103235028
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nameethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)COCCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O5/c1-3-20-13(17)11-19-10-7-15-12-5-8-16(9-6-12)14(18)21-4-2/h12,15H,3-11H2,1-2H3
InChIKeyZEQOHSXZCIXXOS-UHFFFAOYSA-N
XLogP0.78
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate
CID 61483914
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109017486
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292
ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate
CID 107853772
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131
tert-butyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
CID 103952748

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate (CID 103235028) is ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate is CCOC(=O)COCCNC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate?
The InChIKey is ZEQOHSXZCIXXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-3-20-13(17)11-19-10-7-15-12-5-8-16(9-6-12)14(18)21-4-2/h12,15H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103235028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).