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

C22H22FN3O4 — CID 53079667

IUPACethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)C1
InChIInChI=1S/C22H22FN3O4/c1-2-29-22(28)14-4-3-10-26(13-14)21(27)18-12-19-17(9-11-30-19)20(25-18)24-16-7-5-15(23)6-8-16/h5-9,11-12,14H,2-4,10,13H2,1H3,(H,24,25)
InChIKeyDVFYCMIDMZFYFS-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.13
Rot. Bonds5

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

ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate (PubChem CID 53079667) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate
PubChem CID53079667
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Nameethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)C1
InChIInChI=1S/C22H22FN3O4/c1-2-29-22(28)14-4-3-10-26(13-14)21(27)18-12-19-17(9-11-30-19)20(25-18)24-16-7-5-15(23)6-8-16/h5-9,11-12,14H,2-4,10,13H2,1H3,(H,24,25)
InChIKeyDVFYCMIDMZFYFS-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-4-carboxylate
CID 53079642
ethyl (3R)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 41201409
ethyl 1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 43404470
ethyl (3R)-1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 81338657
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
ethyl (3R)-1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 51939226
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
ethyl 1-[7-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 46079626
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl 1-[2-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 46000327
ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 7745228
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 45247251

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate (CID 53079667) is ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)C1.
What is the InChIKey of ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate?
The InChIKey is DVFYCMIDMZFYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-2-29-22(28)14-4-3-10-26(13-14)21(27)18-12-19-17(9-11-30-19)20(25-18)24-16-7-5-15(23)6-8-16/h5-9,11-12,14H,2-4,10,13H2,1H3,(H,24,25).
What are the key properties of ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-carboxylate?
ethyl 1-[4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carbonyl]piperidine-3-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-3-carboxylate is sourced from PubChem (CID 53079667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).