2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one

C14H15ClN2O3 — CID 118939921

IUPAC2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one
SMILESO=C1OC2(CCN(C3COC3)CC2)c2nc(Cl)ccc21
InChIInChI=1S/C14H15ClN2O3/c15-11-2-1-10-12(16-11)14(20-13(10)18)3-5-17(6-4-14)9-7-19-8-9/h1-2,9H,3-8H2
InChIKeyDVYSKYIJIKCXDW-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.60
Rot. Bonds1

About 2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one

2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one (PubChem CID 118939921) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one.

Molecular Properties

Compound Name2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one
PubChem CID118939921
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one
SMILESO=C1OC2(CCN(C3COC3)CC2)c2nc(Cl)ccc21
InChIInChI=1S/C14H15ClN2O3/c15-11-2-1-10-12(16-11)14(20-13(10)18)3-5-17(6-4-14)9-7-19-8-9/h1-2,9H,3-8H2
InChIKeyDVYSKYIJIKCXDW-UHFFFAOYSA-N
XLogP1.60
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one?
The IUPAC name of 2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one (CID 118939921) is 2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one.
What is the SMILES notation for 2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one?
The canonical SMILES for 2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one is O=C1OC2(CCN(C3COC3)CC2)c2nc(Cl)ccc21.
What is the InChIKey of 2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one?
The InChIKey is DVYSKYIJIKCXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c15-11-2-1-10-12(16-11)14(20-13(10)18)3-5-17(6-4-14)9-7-19-8-9/h1-2,9H,3-8H2.
What are the key properties of 2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one?
2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one has a molecular weight of 294.74 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1'-(oxetan-3-yl)spiro[furo[3,4-b]pyridine-7,4'-piperidine]-5-one is sourced from PubChem (CID 118939921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).