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

C25H30N2O3 — CID 58199254

IUPAC4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)c(C)c1
InChIInChI=1S/C25H30N2O3/c1-17-14-19(24(28)26-2)6-8-22(17)18-7-9-23-20(15-18)16-29-25(30-23)10-12-27(13-11-25)21-4-3-5-21/h6-9,14-15,21H,3-5,10-13,16H2,1-2H3,(H,26,28)
InChIKeyAHAMNIARUJVTGF-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.28
Rot. Bonds3

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

4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide (PubChem CID 58199254) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide
PubChem CID58199254
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)c(C)c1
InChIInChI=1S/C25H30N2O3/c1-17-14-19(24(28)26-2)6-8-22(17)18-7-9-23-20(15-18)16-29-25(30-23)10-12-27(13-11-25)21-4-3-5-21/h6-9,14-15,21H,3-5,10-13,16H2,1-2H3,(H,26,28)
InChIKeyAHAMNIARUJVTGF-UHFFFAOYSA-N
XLogP4.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide?
The IUPAC name of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide (CID 58199254) is 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide.
What is the SMILES notation for 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide?
The canonical SMILES for 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide is CNC(=O)c1ccc(-c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)c(C)c1.
What is the InChIKey of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide?
The InChIKey is AHAMNIARUJVTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-17-14-19(24(28)26-2)6-8-22(17)18-7-9-23-20(15-18)16-29-25(30-23)10-12-27(13-11-25)21-4-3-5-21/h6-9,14-15,21H,3-5,10-13,16H2,1-2H3,(H,26,28).
What are the key properties of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide?
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide has a molecular weight of 406.53 g/mol, XLogP of 4.28, 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)-N,3-dimethylbenzamide is sourced from PubChem (CID 58199254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).