ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate

C14H23N3O4 — CID 110689912

IUPACethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C14H23N3O4/c1-2-21-14(20)16-8-5-11(6-9-16)15-12(18)10-17-7-3-4-13(17)19/h11H,2-10H2,1H3,(H,15,18)
InChIKeyWELSEANABWAYBI-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.35
Rot. Bonds4

About ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 110689912) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID110689912
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nameethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C14H23N3O4/c1-2-21-14(20)16-8-5-11(6-9-16)15-12(18)10-17-7-3-4-13(17)19/h11H,2-10H2,1H3,(H,15,18)
InChIKeyWELSEANABWAYBI-UHFFFAOYSA-N
XLogP0.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
ethyl 4-[[N'-[3-(2-oxopyrrolidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111023102
N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115881844
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
N-(6-oxopiperidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 55210347
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 93451570
methyl 1-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754691
ethyl 4-[[2-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 55398630

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate (CID 110689912) is ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN2CCCC2=O)CC1.
What is the InChIKey of ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is WELSEANABWAYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-2-21-14(20)16-8-5-11(6-9-16)15-12(18)10-17-7-3-4-13(17)19/h11H,2-10H2,1H3,(H,15,18).
What are the key properties of ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110689912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).