ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate

C14H26N4O3 — CID 119130268

IUPACethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(/C(=N/C)NCC(=O)N(C)C)CC1
InChIInChI=1S/C14H26N4O3/c1-5-21-13(20)11-6-8-18(9-7-11)14(15-2)16-10-12(19)17(3)4/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyOYIVVAFBUAZEAN-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.07
Rot. Bonds4

About ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate

ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate (PubChem CID 119130268) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
PubChem CID119130268
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nameethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(/C(=N/C)NCC(=O)N(C)C)CC1
InChIInChI=1S/C14H26N4O3/c1-5-21-13(20)11-6-8-18(9-7-11)14(15-2)16-10-12(19)17(3)4/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyOYIVVAFBUAZEAN-UHFFFAOYSA-N
XLogP-0.07
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111500114
ethyl 1-[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111500115
ethyl 1-[N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111500122
ethyl 1-[N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111500123
methyl 1-[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111500594
methyl 1-[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111500595
ethyl 1-[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 112017976
ethyl 1-[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 112017977
ethyl 1-[N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 112017991
methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate
CID 91136339
ethyl 1-[5-[(N'-methylcarbamimidoyl)amino]pentanoyl]piperidine-4-carboxylate
CID 91416573
1,2-Dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 109382506

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate (CID 119130268) is ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(/C(=N/C)NCC(=O)N(C)C)CC1.
What is the InChIKey of ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
The InChIKey is OYIVVAFBUAZEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-5-21-13(20)11-6-8-18(9-7-11)14(15-2)16-10-12(19)17(3)4/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate has a molecular weight of 298.39 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate is sourced from PubChem (CID 119130268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).