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

C14H26N2O3 — CID 54837933

IUPACethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCCCNC(=O)CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O3/c1-3-5-8-15-13(17)11-16-9-6-12(7-10-16)14(18)19-4-2/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyAKOZLPMQHVYRKD-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.18
Rot. Bonds7

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

ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 54837933) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID54837933
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCCCNC(=O)CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O3/c1-3-5-8-15-13(17)11-16-9-6-12(7-10-16)14(18)19-4-2/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyAKOZLPMQHVYRKD-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 62027456
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 34681202
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 27152328
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718676
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60673370
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate (CID 54837933) is ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate is CCCCNC(=O)CN1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is AKOZLPMQHVYRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-5-8-15-13(17)11-16-9-6-12(7-10-16)14(18)19-4-2/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 54837933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).