(3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C17H19NO3 — CID 99882983

IUPAC(3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1O[C@]2(CCCN(C(=O)C3CCC3)C2)c2ccccc21
InChIInChI=1S/C17H19NO3/c19-15(12-5-3-6-12)18-10-4-9-17(11-18)14-8-2-1-7-13(14)16(20)21-17/h1-2,7-8,12H,3-6,9-11H2/t17-/m0/s1
InChIKeyCFZGUNKBWKDWKW-KRWDZBQOSA-N
MW285.34 g/mol
LogP2.47
Rot. Bonds1

About (3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

(3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 99882983) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID99882983
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1O[C@]2(CCCN(C(=O)C3CCC3)C2)c2ccccc21
InChIInChI=1S/C17H19NO3/c19-15(12-5-3-6-12)18-10-4-9-17(11-18)14-8-2-1-7-13(14)16(20)21-17/h1-2,7-8,12H,3-6,9-11H2/t17-/m0/s1
InChIKeyCFZGUNKBWKDWKW-KRWDZBQOSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of (3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 99882983) is (3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for (3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for (3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1O[C@]2(CCCN(C(=O)C3CCC3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is CFZGUNKBWKDWKW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO3/c19-15(12-5-3-6-12)18-10-4-9-17(11-18)14-8-2-1-7-13(14)16(20)21-17/h1-2,7-8,12H,3-6,9-11H2/t17-/m0/s1.
What are the key properties of (3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
(3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 285.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 99882983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).