tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C24H26FN3O4 — CID 71736417

IUPACtert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(C(N)=O)cc4F)ncc3o2)CC1
InChIInChI=1S/C24H26FN3O4/c1-24(2,3)32-23(30)28-8-6-14(7-9-28)20-12-16-11-19(27-13-21(16)31-20)17-5-4-15(22(26)29)10-18(17)25/h4-5,10-14H,6-9H2,1-3H3,(H2,26,29)
InChIKeyIBVQMMCRZRRCAZ-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.85
Rot. Bonds3

About tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 71736417) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID71736417
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC Nametert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(C(N)=O)cc4F)ncc3o2)CC1
InChIInChI=1S/C24H26FN3O4/c1-24(2,3)32-23(30)28-8-6-14(7-9-28)20-12-16-11-19(27-13-21(16)31-20)17-5-4-15(22(26)29)10-18(17)25/h4-5,10-14H,6-9H2,1-3H3,(H2,26,29)
InChIKeyIBVQMMCRZRRCAZ-UHFFFAOYSA-N
XLogP4.85
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 71736417) is tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(C(N)=O)cc4F)ncc3o2)CC1.
What is the InChIKey of tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is IBVQMMCRZRRCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-24(2,3)32-23(30)28-8-6-14(7-9-28)20-12-16-11-19(27-13-21(16)31-20)17-5-4-15(22(26)29)10-18(17)25/h4-5,10-14H,6-9H2,1-3H3,(H2,26,29).
What are the key properties of tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 439.49 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(4-carbamoyl-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71736417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).