ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate

C22H22FN3O4 — CID 53079642

IUPACethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C22H22FN3O4/c1-2-29-22(28)14-7-10-26(11-8-14)21(27)18-13-19-17(9-12-30-19)20(25-18)24-16-5-3-15(23)4-6-16/h3-6,9,12-14H,2,7-8,10-11H2,1H3,(H,24,25)
InChIKeyGFJHDYXUAJKHQT-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.13
Rot. Bonds5

About ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate

ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate (PubChem CID 53079642) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate
PubChem CID53079642
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Nameethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C22H22FN3O4/c1-2-29-22(28)14-7-10-26(11-8-14)21(27)18-13-19-17(9-12-30-19)20(25-18)24-16-5-3-15(23)4-6-16/h3-6,9,12-14H,2,7-8,10-11H2,1H3,(H,24,25)
InChIKeyGFJHDYXUAJKHQT-UHFFFAOYSA-N
XLogP4.13
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate
CID 53079667
ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
ethyl 1-[2-tert-butyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 46079504
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
ethyl 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-4-carboxylate
CID 50828615
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
ethyl 1-[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 3863538
ethyl 1-[4-[(3-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 42790857
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 25454862
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate (CID 53079642) is ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1.
What is the InChIKey of ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate?
The InChIKey is GFJHDYXUAJKHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-2-29-22(28)14-7-10-26(11-8-14)21(27)18-13-19-17(9-12-30-19)20(25-18)24-16-5-3-15(23)4-6-16/h3-6,9,12-14H,2,7-8,10-11H2,1H3,(H,24,25).
What are the key properties of ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate?
ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate has a molecular weight of 411.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 53079642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).