methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate

C15H29N3O3 — CID 111960285

IUPACmethyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
SMILESCCOC1CCN(/C(=N/C)NCCCCC(=O)OC)CC1
InChIInChI=1S/C15H29N3O3/c1-4-21-13-8-11-18(12-9-13)15(16-2)17-10-6-5-7-14(19)20-3/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyUWZYCTFBAPUNPI-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.41
Rot. Bonds7

About methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate

methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate (PubChem CID 111960285) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
PubChem CID111960285
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Namemethyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
SMILESCCOC1CCN(/C(=N/C)NCCCCC(=O)OC)CC1
InChIInChI=1S/C15H29N3O3/c1-4-21-13-8-11-18(12-9-13)15(16-2)17-10-6-5-7-14(19)20-3/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyUWZYCTFBAPUNPI-UHFFFAOYSA-N
XLogP1.41
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate with MolForge

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Related Compounds

methyl 5-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]pentanoate
CID 111959263
methyl 5-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]pentanoate;hydroiodide
CID 111959262
ethyl 1-[N-(7-ethoxy-7-oxoheptyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157486
N-[3-(diethylamino)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959725
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960771
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111959822
N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
CID 111958471
methyl 6-[[C-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
CID 111748337
ethyl 7-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]heptanoate;hydroiodide
CID 109427718
ethyl 1-[N-(3-methoxy-3-oxopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156977
methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
CID 75532609
4-ethoxy-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111960178

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate?
The IUPAC name of methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate (CID 111960285) is methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate.
What is the SMILES notation for methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate?
The canonical SMILES for methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate is CCOC1CCN(/C(=N/C)NCCCCC(=O)OC)CC1.
What is the InChIKey of methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate?
The InChIKey is UWZYCTFBAPUNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-21-13-8-11-18(12-9-13)15(16-2)17-10-6-5-7-14(19)20-3/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate?
methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate has a molecular weight of 299.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate is sourced from PubChem (CID 111960285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).