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

C13H23N3O4 — CID 27152328

IUPACethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCNC(=O)NC(=O)CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C13H23N3O4/c1-3-14-13(19)15-11(17)9-16-7-5-10(6-8-16)12(18)20-4-2/h10H,3-9H2,1-2H3,(H2,14,15,17,19)
InChIKeyWWPOOINIYROSJK-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.11
Rot. Bonds5

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

ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 27152328) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID27152328
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nameethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCNC(=O)NC(=O)CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C13H23N3O4/c1-3-14-13(19)15-11(17)9-16-7-5-10(6-8-16)12(18)20-4-2/h10H,3-9H2,1-2H3,(H2,14,15,17,19)
InChIKeyWWPOOINIYROSJK-UHFFFAOYSA-N
XLogP0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826
ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837933
ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60673370
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
ethyl 1-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54840557
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62217877
[2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717570
2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide
CID 65249628
tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate
CID 51102081

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate (CID 27152328) is ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate is CCNC(=O)NC(=O)CN1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is WWPOOINIYROSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-14-13(19)15-11(17)9-16-7-5-10(6-8-16)12(18)20-4-2/h10H,3-9H2,1-2H3,(H2,14,15,17,19).
What are the key properties of ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 27152328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).