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

C13H24N4O3 — CID 119131086

IUPACmethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
SMILESC/N=C(\NCC(=O)N(C)C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H24N4O3/c1-14-13(15-9-11(18)16(2)3)17-7-5-10(6-8-17)12(19)20-4/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyIMDWVAMMKMQMEM-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.47
Rot. Bonds3

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

methyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate (PubChem CID 119131086) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
PubChem CID119131086
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Namemethyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
SMILESC/N=C(\NCC(=O)N(C)C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H24N4O3/c1-14-13(15-9-11(18)16(2)3)17-7-5-10(6-8-17)12(19)20-4/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyIMDWVAMMKMQMEM-UHFFFAOYSA-N
XLogP-0.47
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.47
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
methyl 1-[N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 112018480
methyl 1-[N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 112018481
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
methyl 1-[N'-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 109391908
methyl 1-[N-ethyl-N'-[2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 109391916

Frequently Asked Questions

What is the IUPAC name of methyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate (CID 119131086) is methyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate is C/N=C(\NCC(=O)N(C)C)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
The InChIKey is IMDWVAMMKMQMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-14-13(15-9-11(18)16(2)3)17-7-5-10(6-8-17)12(19)20-4/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of methyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
methyl 1-[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate has a molecular weight of 284.36 g/mol, XLogP of -0.47, 3 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'-methylcarbamimidoyl]piperidine-4-carboxylate is sourced from PubChem (CID 119131086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).