ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate

C18H28N4O3 — CID 109001487

IUPACethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)N(C)CCc2ccncc2)CC1
InChIInChI=1S/C18H28N4O3/c1-3-25-18(24)22-12-7-16(8-13-22)20-14-17(23)21(2)11-6-15-4-9-19-10-5-15/h4-5,9-10,16,20H,3,6-8,11-14H2,1-2H3
InChIKeyIOYXXEPOBJQVON-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.29
Rot. Bonds7

About ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 109001487) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID109001487
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nameethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)N(C)CCc2ccncc2)CC1
InChIInChI=1S/C18H28N4O3/c1-3-25-18(24)22-12-7-16(8-13-22)20-14-17(23)21(2)11-6-15-4-9-19-10-5-15/h4-5,9-10,16,20H,3,6-8,11-14H2,1-2H3
InChIKeyIOYXXEPOBJQVON-UHFFFAOYSA-N
XLogP1.29
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131
ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023796
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109014143
N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158559
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003618
ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108994613
2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 79328384
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate (CID 109001487) is ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(=O)N(C)CCc2ccncc2)CC1.
What is the InChIKey of ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is IOYXXEPOBJQVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-25-18(24)22-12-7-16(8-13-22)20-14-17(23)21(2)11-6-15-4-9-19-10-5-15/h4-5,9-10,16,20H,3,6-8,11-14H2,1-2H3.
What are the key properties of ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109001487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).