tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate

C18H24N2O5 — CID 172562813

IUPACtert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCOc1nc2c(cc1C1CCN(C(=O)OC(C)(C)C)CC1)COC2=O
InChIInChI=1S/C18H24N2O5/c1-18(2,3)25-17(22)20-7-5-11(6-8-20)13-9-12-10-24-16(21)14(12)19-15(13)23-4/h9,11H,5-8,10H2,1-4H3
InChIKeyDJKLVTUELSEPFG-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.88
Rot. Bonds2

About tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate

tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 172562813) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID172562813
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nametert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCOc1nc2c(cc1C1CCN(C(=O)OC(C)(C)C)CC1)COC2=O
InChIInChI=1S/C18H24N2O5/c1-18(2,3)25-17(22)20-7-5-11(6-8-20)13-9-12-10-24-16(21)14(12)19-15(13)23-4/h9,11H,5-8,10H2,1-4H3
InChIKeyDJKLVTUELSEPFG-UHFFFAOYSA-N
XLogP2.88
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate (CID 172562813) is tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate is COc1nc2c(cc1C1CCN(C(=O)OC(C)(C)C)CC1)COC2=O.
What is the InChIKey of tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is DJKLVTUELSEPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-18(2,3)25-17(22)20-7-5-11(6-8-20)13-9-12-10-24-16(21)14(12)19-15(13)23-4/h9,11H,5-8,10H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methoxy-7-oxo-5H-furo[3,4-b]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 172562813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).