methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate

C14H26N4O3 — CID 111255233

IUPACmethyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
SMILESCCN/C(=N\CC(=O)N(C)C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H26N4O3/c1-5-15-14(16-10-12(19)17(2)3)18-8-6-11(7-9-18)13(20)21-4/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyKWMADQSTAIJOND-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.07
Rot. Bonds4

About methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate

methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate (PubChem CID 111255233) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
PubChem CID111255233
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Namemethyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
SMILESCCN/C(=N\CC(=O)N(C)C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H26N4O3/c1-5-15-14(16-10-12(19)17(2)3)18-8-6-11(7-9-18)13(20)21-4/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyKWMADQSTAIJOND-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

methyl 1-[N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254061
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
methyl 1-[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111984029
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-[N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 112018480

Frequently Asked Questions

What is the IUPAC name of methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate (CID 111255233) is methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate is CCN/C(=N\CC(=O)N(C)C)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate?
The InChIKey is KWMADQSTAIJOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-5-15-14(16-10-12(19)17(2)3)18-8-6-11(7-9-18)13(20)21-4/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate?
methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]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 methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate is sourced from PubChem (CID 111255233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).