methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate

C13H15FN2O3 — CID 63973141

IUPACmethyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(F)nc2)CC1
InChIInChI=1S/C13H15FN2O3/c1-19-13(18)9-4-6-16(7-5-9)12(17)10-2-3-11(14)15-8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyKCFGKPFAUSSVIH-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.25
Rot. Bonds2

About methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate

methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 63973141) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate
PubChem CID63973141
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Namemethyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(F)nc2)CC1
InChIInChI=1S/C13H15FN2O3/c1-19-13(18)9-4-6-16(7-5-9)12(17)10-2-3-11(14)15-8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyKCFGKPFAUSSVIH-UHFFFAOYSA-N
XLogP1.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 1-(6-fluoropyridine-3-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

(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 84585423
methyl 1-[4-(bromomethyl)benzoyl]piperidine-4-carboxylate
CID 102850825
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
CID 43404805
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335
(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63971232
methyl 1-(2-cyanopyridine-4-carbonyl)piperidine-4-carboxylate
CID 112531668
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate (CID 63973141) is methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(F)nc2)CC1.
What is the InChIKey of methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is KCFGKPFAUSSVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-19-13(18)9-4-6-16(7-5-9)12(17)10-2-3-11(14)15-8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate?
methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 266.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 63973141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).