ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate

C11H20N2O4 — CID 110675946

IUPACethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCOC)CC1
InChIInChI=1S/C11H20N2O4/c1-3-17-10(14)9-4-6-13(7-5-9)11(15)12-8-16-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyLHNRTGRYEHSWDA-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.57
Rot. Bonds4

About ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate

ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate (PubChem CID 110675946) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
PubChem CID110675946
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCOC)CC1
InChIInChI=1S/C11H20N2O4/c1-3-17-10(14)9-4-6-13(7-5-9)11(15)12-8-16-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyLHNRTGRYEHSWDA-UHFFFAOYSA-N
XLogP0.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate
CID 108865828
3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172435
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-(2-chloropropanoylcarbamoyl)piperidine-4-carboxylate
CID 43328968
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
ethyl 1-[[(E)-2,3,3-trimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylate
CID 108914959

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate (CID 110675946) is ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NCOC)CC1.
What is the InChIKey of ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is LHNRTGRYEHSWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-17-10(14)9-4-6-13(7-5-9)11(15)12-8-16-2/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate?
ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 110675946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).