ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate

C13H23NO4S — CID 43424038

IUPACethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CSCCOC)CC1
InChIInChI=1S/C13H23NO4S/c1-3-18-13(16)11-4-6-14(7-5-11)12(15)10-19-9-8-17-2/h11H,3-10H2,1-2H3
InChIKeyNRKWEYBRSSJOCH-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.17
Rot. Bonds7

About ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate (PubChem CID 43424038) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate
PubChem CID43424038
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Nameethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CSCCOC)CC1
InChIInChI=1S/C13H23NO4S/c1-3-18-13(16)11-4-6-14(7-5-11)12(15)10-19-9-8-17-2/h11H,3-10H2,1-2H3
InChIKeyNRKWEYBRSSJOCH-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate
CID 4269338
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
ethyl 1-[2-(furan-2-ylmethylsulfanyl)acetyl]piperidine-4-carboxylate
CID 2414801
ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
CID 110675946
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate (CID 43424038) is ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CSCCOC)CC1.
What is the InChIKey of ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate?
The InChIKey is NRKWEYBRSSJOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-3-18-13(16)11-4-6-14(7-5-11)12(15)10-19-9-8-17-2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate has a molecular weight of 289.40 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methoxyethylsulfanyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 43424038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).