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

C22H25N3O3 — CID 71736572

IUPACtert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccncc4)ncc3o2)CC1
InChIInChI=1S/C22H25N3O3/c1-22(2,3)28-21(26)25-10-6-16(7-11-25)19-13-17-12-18(24-14-20(17)27-19)15-4-8-23-9-5-15/h4-5,8-9,12-14,16H,6-7,10-11H2,1-3H3
InChIKeyFTKFYJYORZJTBV-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.00
Rot. Bonds2

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

tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate (PubChem CID 71736572) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate
PubChem CID71736572
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Nametert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccncc4)ncc3o2)CC1
InChIInChI=1S/C22H25N3O3/c1-22(2,3)28-21(26)25-10-6-16(7-11-25)19-13-17-12-18(24-14-20(17)27-19)15-4-8-23-9-5-15/h4-5,8-9,12-14,16H,6-7,10-11H2,1-3H3
InChIKeyFTKFYJYORZJTBV-UHFFFAOYSA-N
XLogP5.00
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate (CID 71736572) is tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccncc4)ncc3o2)CC1.
What is the InChIKey of tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate?
The InChIKey is FTKFYJYORZJTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(2,3)28-21(26)25-10-6-16(7-11-25)19-13-17-12-18(24-14-20(17)27-19)15-4-8-23-9-5-15/h4-5,8-9,12-14,16H,6-7,10-11H2,1-3H3.
What are the key properties of tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-pyridin-4-ylfuro[2,3-c]pyridin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 71736572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).