1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]

C24H29FN2O — CID 23467200

IUPAC1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
SMILESFc1cccc(C2OC3(CCN(Cc4ccccc4)CC3)N3CCCCC23)c1
InChIInChI=1S/C24H29FN2O/c25-21-10-6-9-20(17-21)23-22-11-4-5-14-27(22)24(28-23)12-15-26(16-13-24)18-19-7-2-1-3-8-19/h1-3,6-10,17,22-23H,4-5,11-16,18H2
InChIKeyAXPLVOHTSWYWBN-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.74
Rot. Bonds3

About 1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]

1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] (PubChem CID 23467200) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is 1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
PubChem CID23467200
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
SMILESFc1cccc(C2OC3(CCN(Cc4ccccc4)CC3)N3CCCCC23)c1
InChIInChI=1S/C24H29FN2O/c25-21-10-6-9-20(17-21)23-22-11-4-5-14-27(22)24(28-23)12-15-26(16-13-24)18-19-7-2-1-3-8-19/h1-3,6-10,17,22-23H,4-5,11-16,18H2
InChIKeyAXPLVOHTSWYWBN-UHFFFAOYSA-N
XLogP4.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
The IUPAC name of 1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] (CID 23467200) is 1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine].
What is the SMILES notation for 1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
The canonical SMILES for 1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] is Fc1cccc(C2OC3(CCN(Cc4ccccc4)CC3)N3CCCCC23)c1.
What is the InChIKey of 1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
The InChIKey is AXPLVOHTSWYWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O/c25-21-10-6-9-20(17-21)23-22-11-4-5-14-27(22)24(28-23)12-15-26(16-13-24)18-19-7-2-1-3-8-19/h1-3,6-10,17,22-23H,4-5,11-16,18H2.
What are the key properties of 1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] has a molecular weight of 380.51 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-1-(3-fluorophenyl)spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] is sourced from PubChem (CID 23467200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).