6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

C16H21FN2O3 — CID 138594664

IUPAC6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCN(C)CCOc1cc(F)c2c(c1)C(=O)OC21CCNCC1
InChIInChI=1S/C16H21FN2O3/c1-19(2)7-8-21-11-9-12-14(13(17)10-11)16(22-15(12)20)3-5-18-6-4-16/h9-10,18H,3-8H2,1-2H3
InChIKeyNLSWYIVTRRJPDM-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.52
Rot. Bonds4

About 6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 138594664) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID138594664
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCN(C)CCOc1cc(F)c2c(c1)C(=O)OC21CCNCC1
InChIInChI=1S/C16H21FN2O3/c1-19(2)7-8-21-11-9-12-14(13(17)10-11)16(22-15(12)20)3-5-18-6-4-16/h9-10,18H,3-8H2,1-2H3
InChIKeyNLSWYIVTRRJPDM-UHFFFAOYSA-N
XLogP1.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (CID 138594664) is 6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is CN(C)CCOc1cc(F)c2c(c1)C(=O)OC21CCNCC1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is NLSWYIVTRRJPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-19(2)7-8-21-11-9-12-14(13(17)10-11)16(22-15(12)20)3-5-18-6-4-16/h9-10,18H,3-8H2,1-2H3.
What are the key properties of 6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 308.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 138594664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).