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

C29H36N2O4 — CID 58199138

IUPAC4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCOCC2)ccc1-c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C29H36N2O4/c1-20-17-22(28(32)30-24-9-15-33-16-10-24)5-7-26(20)21-6-8-27-23(18-21)19-34-29(35-27)11-13-31(14-12-29)25-3-2-4-25/h5-8,17-18,24-25H,2-4,9-16,19H2,1H3,(H,30,32)
InChIKeyDWMJWLIFOAQLAL-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.82
Rot. Bonds4

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

4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide (PubChem CID 58199138) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide
PubChem CID58199138
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC Name4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCOCC2)ccc1-c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C29H36N2O4/c1-20-17-22(28(32)30-24-9-15-33-16-10-24)5-7-26(20)21-6-8-27-23(18-21)19-34-29(35-27)11-13-31(14-12-29)25-3-2-4-25/h5-8,17-18,24-25H,2-4,9-16,19H2,1H3,(H,30,32)
InChIKeyDWMJWLIFOAQLAL-UHFFFAOYSA-N
XLogP4.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide
CID 58199254
4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide
CID 58199268
5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one
CID 58199325
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide
CID 58199503
[4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 58199424
4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide
CID 58199006
N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 58199048
N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide
CID 58199036
1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 58199188
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-(2-methoxyethyl)benzamide
CID 58199130
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylisoquinolin-1-one
CID 58198978
1'-cyclobutyl-6-pyrazolo[1,5-a]pyridin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 58199084

Frequently Asked Questions

What is the IUPAC name of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide (CID 58199138) is 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide is Cc1cc(C(=O)NC2CCOCC2)ccc1-c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2.
What is the InChIKey of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is DWMJWLIFOAQLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c1-20-17-22(28(32)30-24-9-15-33-16-10-24)5-7-26(20)21-6-8-27-23(18-21)19-34-29(35-27)11-13-31(14-12-29)25-3-2-4-25/h5-8,17-18,24-25H,2-4,9-16,19H2,1H3,(H,30,32).
What are the key properties of 4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide?
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 476.62 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 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)-3-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 58199138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).