3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one

C27H38N2O4 — CID 73402898

IUPAC3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESCOc1ccc(C2=COC3C(CCC4OCN(C5CC(C)(C)NC(C)(C)C5)CC43)C2=O)cc1
InChIInChI=1S/C27H38N2O4/c1-26(2)12-18(13-27(3,4)28-26)29-14-21-23(33-16-29)11-10-20-24(30)22(15-32-25(20)21)17-6-8-19(31-5)9-7-17/h6-9,15,18,20-21,23,25,28H,10-14,16H2,1-5H3
InChIKeyBVWGLKQLJVAHHR-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.00
Rot. Bonds3

About 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one

3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (PubChem CID 73402898) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
PubChem CID73402898
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC Name3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESCOc1ccc(C2=COC3C(CCC4OCN(C5CC(C)(C)NC(C)(C)C5)CC43)C2=O)cc1
InChIInChI=1S/C27H38N2O4/c1-26(2)12-18(13-27(3,4)28-26)29-14-21-23(33-16-29)11-10-20-24(30)22(15-32-25(20)21)17-6-8-19(31-5)9-7-17/h6-9,15,18,20-21,23,25,28H,10-14,16H2,1-5H3
InChIKeyBVWGLKQLJVAHHR-UHFFFAOYSA-N
XLogP4.00
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one with MolForge

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Related Compounds

9-(2-methoxyethyl)-3-(4-methoxyphenyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
CID 73402401
9-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
CID 73258607
3-(4-fluorophenyl)-9-propyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
CID 74813239
7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 75193241
9-cyclopentyl-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
CID 74415247
3-(4-chlorophenyl)-9-[(3,4-dimethoxyphenyl)methyl]-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
CID 73259753
9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
CID 73402916
7-methoxy-3-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 71651228
7-hydroxy-3-(4-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 76851628
3-(3,4-dimethoxyphenyl)-9-(2-thiophen-2-ylethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
CID 73259664
3-(4-methoxyphenyl)-8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 73258720
9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
CID 73402861

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (CID 73402898) is 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is COc1ccc(C2=COC3C(CCC4OCN(C5CC(C)(C)NC(C)(C)C5)CC43)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The InChIKey is BVWGLKQLJVAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-26(2)12-18(13-27(3,4)28-26)29-14-21-23(33-16-29)11-10-20-24(30)22(15-32-25(20)21)17-6-8-19(31-5)9-7-17/h6-9,15,18,20-21,23,25,28H,10-14,16H2,1-5H3.
What are the key properties of 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one has a molecular weight of 454.61 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-9-(2,2,6,6-tetramethylpiperidin-4-yl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is sourced from PubChem (CID 73402898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).