ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate

C14H16F2N2O3 — CID 105380316

IUPACethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccnc(F)c2F)CC1
InChIInChI=1S/C14H16F2N2O3/c1-2-21-14(20)9-4-7-18(8-5-9)13(19)10-3-6-17-12(16)11(10)15/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyCSFIBSMLPVSQNE-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.78
Rot. Bonds3

About ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 105380316) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
PubChem CID105380316
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Nameethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccnc(F)c2F)CC1
InChIInChI=1S/C14H16F2N2O3/c1-2-21-14(20)9-4-7-18(8-5-9)13(19)10-3-6-17-12(16)11(10)15/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyCSFIBSMLPVSQNE-UHFFFAOYSA-N
XLogP1.78
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 1-(2,3-difluoropyridine-4-carbonyl)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

(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 105380117
ethyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730817
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
ethyl 1-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 78806429
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(2-propylsulfanylpyridine-3-carbonyl)piperidine-4-carboxylate
CID 44760758

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate (CID 105380316) is ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccnc(F)c2F)CC1.
What is the InChIKey of ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is CSFIBSMLPVSQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-2-21-14(20)9-4-7-18(8-5-9)13(19)10-3-6-17-12(16)11(10)15/h3,6,9H,2,4-5,7-8H2,1H3.
What are the key properties of ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 298.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 105380316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).