dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C24H32N2O6 — CID 168635193

IUPACdimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(C(=O)N3C(C)(C)CCCC3(C)C)cc2)COC1
InChIInChI=1S/C24H32N2O6/c1-23(2)12-7-13-24(3,4)26(23)20(27)16-8-10-17(11-9-16)25-15-32-14-18(21(28)30-5)19(25)22(29)31-6/h8-11H,7,12-15H2,1-6H3
InChIKeyVZLKIEHTVMCWGO-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.26
Rot. Bonds4

About dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168635193) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168635193
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Namedimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(C(=O)N3C(C)(C)CCCC3(C)C)cc2)COC1
InChIInChI=1S/C24H32N2O6/c1-23(2)12-7-13-24(3,4)26(23)20(27)16-8-10-17(11-9-16)25-15-32-14-18(21(28)30-5)19(25)22(29)31-6/h8-11H,7,12-15H2,1-6H3
InChIKeyVZLKIEHTVMCWGO-UHFFFAOYSA-N
XLogP3.26
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate with MolForge

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Related Compounds

dimethyl 3-(4-hydroxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600765
dimethyl 3-(4-methoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 102280773
dimethyl 3-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635425
dimethyl 3-[4-(cyclohexylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634424
dimethyl 3-(4-cyanophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600795
4-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]benzenesulfonic acid
CID 168601317
dimethyl 3-[4-(trifluoromethyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631943
dimethyl 3-(4-ethylsulfonylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632874
dimethyl 3-[4-(tetrazol-1-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634459
dimethyl 3-[4-(trifluoromethylsulfonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168636175
dimethyl 3-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632800
dimethyl 3-(4-chloro-3-methoxycarbonylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631595

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168635193) is dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccc(C(=O)N3C(C)(C)CCCC3(C)C)cc2)COC1.
What is the InChIKey of dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is VZLKIEHTVMCWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6/c1-23(2)12-7-13-24(3,4)26(23)20(27)16-8-10-17(11-9-16)25-15-32-14-18(21(28)30-5)19(25)22(29)31-6/h8-11H,7,12-15H2,1-6H3.
What are the key properties of dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 444.53 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[4-(2,2,6,6-tetramethylpiperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168635193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).