N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

C20H21FN2O3 — CID 126472604

IUPACN-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(CC1)OCc1cc(F)ccc1O2
InChIInChI=1S/C20H21FN2O3/c21-17-6-7-18-16(12-17)14-25-20(26-18)8-10-23(11-9-20)19(24)22-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,24)
InChIKeyNWWWUOYMHGVDFR-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.44
Rot. Bonds2

About N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide (PubChem CID 126472604) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
PubChem CID126472604
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(CC1)OCc1cc(F)ccc1O2
InChIInChI=1S/C20H21FN2O3/c21-17-6-7-18-16(12-17)14-25-20(26-18)8-10-23(11-9-20)19(24)22-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,24)
InChIKeyNWWWUOYMHGVDFR-UHFFFAOYSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide (CID 126472604) is N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide is O=C(NCc1ccccc1)N1CCC2(CC1)OCc1cc(F)ccc1O2.
What is the InChIKey of N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The InChIKey is NWWWUOYMHGVDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-6-7-18-16(12-17)14-25-20(26-18)8-10-23(11-9-20)19(24)22-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,24).
What are the key properties of N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 126472604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).