7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide

C14H16FN3O3 — CID 138594501

IUPAC7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide
SMILES[H]/N=C(\N)N1CCC2(CC1)OC(=O)c1cc(OC)cc(F)c12
InChIInChI=1S/C14H16FN3O3/c1-20-8-6-9-11(10(15)7-8)14(21-12(9)19)2-4-18(5-3-14)13(16)17/h6-7H,2-5H2,1H3,(H3,16,17)
InChIKeyVGEBQDGINQFPTI-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.19
Rot. Bonds1

About 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide

7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide (PubChem CID 138594501) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide.

Molecular Properties

Compound Name7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide
PubChem CID138594501
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide
SMILES[H]/N=C(\N)N1CCC2(CC1)OC(=O)c1cc(OC)cc(F)c12
InChIInChI=1S/C14H16FN3O3/c1-20-8-6-9-11(10(15)7-8)14(21-12(9)19)2-4-18(5-3-14)13(16)17/h6-7H,2-5H2,1H3,(H3,16,17)
InChIKeyVGEBQDGINQFPTI-UHFFFAOYSA-N
XLogP1.19
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-Benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594410
6-[2-(Dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594453
4-Fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594463
4-Fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594515
4-Fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594566
Ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate
CID 138594594
6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594604
6-[2-(Dimethylamino)ethoxy]-4-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594664
4-Fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594881
tert-butyl N-[(7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 138594932
4-fluoro-6-[(4-methoxyphenyl)methoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138595034
4-fluoro-6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 141718241

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide?
The IUPAC name of 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide (CID 138594501) is 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide.
What is the SMILES notation for 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide?
The canonical SMILES for 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide is [H]/N=C(\N)N1CCC2(CC1)OC(=O)c1cc(OC)cc(F)c12.
What is the InChIKey of 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide?
The InChIKey is VGEBQDGINQFPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-20-8-6-9-11(10(15)7-8)14(21-12(9)19)2-4-18(5-3-14)13(16)17/h6-7H,2-5H2,1H3,(H3,16,17).
What are the key properties of 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide?
7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide has a molecular weight of 293.30 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methoxy-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboximidamide is sourced from PubChem (CID 138594501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).