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

C12H23N3O3 — CID 28586131

IUPACethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-4-18-12(17)15-7-5-10(6-8-15)13-9-11(16)14(2)3/h10,13H,4-9H2,1-3H3
InChIKeyJSAPCZHWCVGKEQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.29
Rot. Bonds4

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

ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 28586131) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID28586131
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nameethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-4-18-12(17)15-7-5-10(6-8-15)13-9-11(16)14(2)3/h10,13H,4-9H2,1-3H3
InChIKeyJSAPCZHWCVGKEQ-UHFFFAOYSA-N
XLogP0.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108994613
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003618
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109001487
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]piperidine-1-carboxamide
CID 104923445

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate (CID 28586131) is ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(=O)N(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is JSAPCZHWCVGKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-18-12(17)15-7-5-10(6-8-15)13-9-11(16)14(2)3/h10,13H,4-9H2,1-3H3.
What are the key properties of ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 28586131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).