4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide

C24H26F2N2O3 — CID 58199503

IUPAC4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide
SMILESCNC(=O)c1c(F)cc(-c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)cc1F
InChIInChI=1S/C24H26F2N2O3/c1-27-23(29)22-19(25)12-16(13-20(22)26)15-5-6-21-17(11-15)14-30-24(31-21)7-9-28(10-8-24)18-3-2-4-18/h5-6,11-13,18H,2-4,7-10,14H2,1H3,(H,27,29)
InChIKeyFJKWKILKGIYJML-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.24
Rot. Bonds3

About 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide

4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide (PubChem CID 58199503) has the molecular formula C24H26F2N2O3 and a molecular weight of 428.48 g/mol. Its IUPAC name is 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide
PubChem CID58199503
Molecular FormulaC24H26F2N2O3
Molecular Weight428.48 g/mol
Exact Mass428.19
IUPAC Name4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide
SMILESCNC(=O)c1c(F)cc(-c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)cc1F
InChIInChI=1S/C24H26F2N2O3/c1-27-23(29)22-19(25)12-16(13-20(22)26)15-5-6-21-17(11-15)14-30-24(31-21)7-9-28(10-8-24)18-3-2-4-18/h5-6,11-13,18H,2-4,7-10,14H2,1H3,(H,27,29)
InChIKeyFJKWKILKGIYJML-UHFFFAOYSA-N
XLogP4.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide 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 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide?
The IUPAC name of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide (CID 58199503) is 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide.
What is the SMILES notation for 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide?
The canonical SMILES for 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide is CNC(=O)c1c(F)cc(-c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)cc1F.
What is the InChIKey of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide?
The InChIKey is FJKWKILKGIYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O3/c1-27-23(29)22-19(25)12-16(13-20(22)26)15-5-6-21-17(11-15)14-30-24(31-21)7-9-28(10-8-24)18-3-2-4-18/h5-6,11-13,18H,2-4,7-10,14H2,1H3,(H,27,29).
What are the key properties of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide?
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide has a molecular weight of 428.48 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide is sourced from PubChem (CID 58199503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).