1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one

C20H20N2O4 — CID 134795655

IUPAC1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
SMILESCOc1ccc(C(=O)N2CCCC3(C2)NC(=O)c2ccccc2O3)cc1
InChIInChI=1S/C20H20N2O4/c1-25-15-9-7-14(8-10-15)19(24)22-12-4-11-20(13-22)21-18(23)16-5-2-3-6-17(16)26-20/h2-3,5-10H,4,11-13H2,1H3,(H,21,23)
InChIKeyZNCLRCUVZCGTLP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.45
Rot. Bonds2

About 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one

1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one (PubChem CID 134795655) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
PubChem CID134795655
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
SMILESCOc1ccc(C(=O)N2CCCC3(C2)NC(=O)c2ccccc2O3)cc1
InChIInChI=1S/C20H20N2O4/c1-25-15-9-7-14(8-10-15)19(24)22-12-4-11-20(13-22)21-18(23)16-5-2-3-6-17(16)26-20/h2-3,5-10H,4,11-13H2,1H3,(H,21,23)
InChIKeyZNCLRCUVZCGTLP-UHFFFAOYSA-N
XLogP2.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16672353
(2R)-1'-(1,3-dimethylpyrazole-4-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 95807966
1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 110219417
1'-[2-(4-methoxyphenoxy)acetyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-5-one
CID 110213187
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 652743
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 95799880
1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 53016592
1'-[2-(3-ethyl-4-oxophthalazin-1-yl)acetyl]spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 110219409
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 44608428
methyl (2R)-2-[(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carbonyl)amino]propanoate
CID 92710344

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
The IUPAC name of 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one (CID 134795655) is 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one.
What is the SMILES notation for 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
The canonical SMILES for 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one is COc1ccc(C(=O)N2CCCC3(C2)NC(=O)c2ccccc2O3)cc1.
What is the InChIKey of 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
The InChIKey is ZNCLRCUVZCGTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-15-9-7-14(8-10-15)19(24)22-12-4-11-20(13-22)21-18(23)16-5-2-3-6-17(16)26-20/h2-3,5-10H,4,11-13H2,1H3,(H,21,23).
What are the key properties of 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one has a molecular weight of 352.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one is sourced from PubChem (CID 134795655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).