5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C18H23NO3 — CID 58089586

IUPAC5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCc1ccc2c(c1)C1(CCN(C3CCOCC3)CC1)OC2=O
InChIInChI=1S/C18H23NO3/c1-13-2-3-15-16(12-13)18(22-17(15)20)6-8-19(9-7-18)14-4-10-21-11-5-14/h2-3,12,14H,4-11H2,1H3
InChIKeyBGDFRMVUWMTHMO-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds1

About 5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 58089586) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID58089586
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCc1ccc2c(c1)C1(CCN(C3CCOCC3)CC1)OC2=O
InChIInChI=1S/C18H23NO3/c1-13-2-3-15-16(12-13)18(22-17(15)20)6-8-19(9-7-18)14-4-10-21-11-5-14/h2-3,12,14H,4-11H2,1H3
InChIKeyBGDFRMVUWMTHMO-UHFFFAOYSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 58089586) is 5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is Cc1ccc2c(c1)C1(CCN(C3CCOCC3)CC1)OC2=O.
What is the InChIKey of 5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is BGDFRMVUWMTHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13-2-3-15-16(12-13)18(22-17(15)20)6-8-19(9-7-18)14-4-10-21-11-5-14/h2-3,12,14H,4-11H2,1H3.
What are the key properties of 5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1'-(oxan-4-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 58089586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).