ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide

C11H22IN3O2 — CID 111157305

IUPACethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide
SMILESCC/N=C(\N)N1CCC(C(=O)OCC)CC1.I
InChIInChI=1S/C11H21N3O2.HI/c1-3-13-11(12)14-7-5-9(6-8-14)10(15)16-4-2;/h9H,3-8H2,1-2H3,(H2,12,13);1H
InChIKeyCAGPTJGQDWBIRV-UHFFFAOYSA-N
MW355.22 g/mol
LogP1.21
Rot. Bonds3

About ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide

ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide (PubChem CID 111157305) has the molecular formula C11H22IN3O2 and a molecular weight of 355.22 g/mol. Its IUPAC name is ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide.

Molecular Properties

Compound Nameethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide
PubChem CID111157305
Molecular FormulaC11H22IN3O2
Molecular Weight355.22 g/mol
Exact Mass355.08
IUPAC Nameethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide
SMILESCC/N=C(\N)N1CCC(C(=O)OCC)CC1.I
InChIInChI=1S/C11H21N3O2.HI/c1-3-13-11(12)14-7-5-9(6-8-14)10(15)16-4-2;/h9H,3-8H2,1-2H3,(H2,12,13);1H
InChIKeyCAGPTJGQDWBIRV-UHFFFAOYSA-N
XLogP1.21
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155837
ethyl 1-[N-(2,2-dimethylcyclopropyl)-N'-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 119130245
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide?
The IUPAC name of ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide (CID 111157305) is ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide.
What is the SMILES notation for ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide?
The canonical SMILES for ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide is CC/N=C(\N)N1CCC(C(=O)OCC)CC1.I.
What is the InChIKey of ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide?
The InChIKey is CAGPTJGQDWBIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.HI/c1-3-13-11(12)14-7-5-9(6-8-14)10(15)16-4-2;/h9H,3-8H2,1-2H3,(H2,12,13);1H.
What are the key properties of ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide?
ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide has a molecular weight of 355.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide is sourced from PubChem (CID 111157305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).