1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

C26H26N2O6 — CID 44608428

IUPAC1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3cc(OC)c4cccc(OC)c4c3)CC1)O2
InChIInChI=1S/C26H26N2O6/c1-31-17-7-8-22-20(15-17)24(29)27-26(34-22)9-11-28(12-10-26)25(30)16-13-19-18(23(14-16)33-3)5-4-6-21(19)32-2/h4-8,13-15H,9-12H2,1-3H3,(H,27,29)
InChIKeyVUAQWMCSUKBPCA-UHFFFAOYSA-N
MW462.50 g/mol
LogP3.62
Rot. Bonds4

About 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 44608428) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
PubChem CID44608428
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3cc(OC)c4cccc(OC)c4c3)CC1)O2
InChIInChI=1S/C26H26N2O6/c1-31-17-7-8-22-20(15-17)24(29)27-26(34-22)9-11-28(12-10-26)25(30)16-13-19-18(23(14-16)33-3)5-4-6-21(19)32-2/h4-8,13-15H,9-12H2,1-3H3,(H,27,29)
InChIKeyVUAQWMCSUKBPCA-UHFFFAOYSA-N
XLogP3.62
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(trifluoromethoxy)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 44608591
6-amino-1'-(7-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 59144478
1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-(trifluoromethoxy)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 59144453
1'-(4,8-dimethoxy-2H-quinolin-1-ide-2-carbonyl)-7-methoxyspiro[3H-benzo[g][1,3]benzoxazine-2,4'-piperidine]-4-one
CID 143927457
1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 134795655
6-bromo-1'-(4-ethoxy-8-ethylquinoline-2-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 59144467
1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16672353
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
(4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone
CID 91279110
6-ethyl-1'-(7-ethyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 59144669
3-(4,8-dimethoxynaphthalene-2-carbonyl)-6,7-dimethylspiro[1,3-benzoxazine-2,4'-piperidine]-4-one
CID 67119780
1'-(4-amino-3-methanimidoyl-5-methylbenzoyl)-6-methylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 91373216

Frequently Asked Questions

What is the IUPAC name of 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (CID 44608428) is 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is COc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3cc(OC)c4cccc(OC)c4c3)CC1)O2.
What is the InChIKey of 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The InChIKey is VUAQWMCSUKBPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-31-17-7-8-22-20(15-17)24(29)27-26(34-22)9-11-28(12-10-26)25(30)16-13-19-18(23(14-16)33-3)5-4-6-21(19)32-2/h4-8,13-15H,9-12H2,1-3H3,(H,27,29).
What are the key properties of 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 462.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 44608428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).