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

C24H29N3O3 — CID 58199006

IUPAC4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)cc1
InChIInChI=1S/C24H29N3O3/c1-25-23(28)17-5-7-19(8-6-17)26-20-9-10-22-18(15-20)16-29-24(30-22)11-13-27(14-12-24)21-3-2-4-21/h5-10,15,21,26H,2-4,11-14,16H2,1H3,(H,25,28)
InChIKeyFXLDDTIMNMXAQP-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.04
Rot. Bonds4

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

4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide (PubChem CID 58199006) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide
PubChem CID58199006
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)cc1
InChIInChI=1S/C24H29N3O3/c1-25-23(28)17-5-7-19(8-6-17)26-20-9-10-22-18(15-20)16-29-24(30-22)11-13-27(14-12-24)21-3-2-4-21/h5-10,15,21,26H,2-4,11-14,16H2,1H3,(H,25,28)
InChIKeyFXLDDTIMNMXAQP-UHFFFAOYSA-N
XLogP4.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)amino]-N-methylbenzamide?
The IUPAC name of 4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide (CID 58199006) is 4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)cc1.
What is the InChIKey of 4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide?
The InChIKey is FXLDDTIMNMXAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-25-23(28)17-5-7-19(8-6-17)26-20-9-10-22-18(15-20)16-29-24(30-22)11-13-27(14-12-24)21-3-2-4-21/h5-10,15,21,26H,2-4,11-14,16H2,1H3,(H,25,28).
What are the key properties of 4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide?
4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide has a molecular weight of 407.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 58199006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).