ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate

C10H15F3N2O3 — CID 108865828

IUPACethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-18-8(16)7-3-5-15(6-4-7)9(17)14-10(11,12)13/h7H,2-6H2,1H3,(H,14,17)
InChIKeyQCWOZDCCRVAAES-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.49
Rot. Bonds2

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

ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate (PubChem CID 108865828) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate
PubChem CID108865828
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Nameethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-18-8(16)7-3-5-15(6-4-7)9(17)14-10(11,12)13/h7H,2-6H2,1H3,(H,14,17)
InChIKeyQCWOZDCCRVAAES-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-[[(E)-2,3,3-trimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylate
CID 108914959
ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
CID 110675946
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172435
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
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-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
CID 47010749
ethyl 1-[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111983779

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate (CID 108865828) is ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NC(F)(F)F)CC1.
What is the InChIKey of ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is QCWOZDCCRVAAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-18-8(16)7-3-5-15(6-4-7)9(17)14-10(11,12)13/h7H,2-6H2,1H3,(H,14,17).
What are the key properties of ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate?
ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 268.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 108865828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).