6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate

C23H29NO4 — CID 145333546

IUPAC6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)ccc2c1
InChIInChI=1S/C23H29NO4/c1-22(2)13-19(14-23(3,4)24(22)5)28-21(26)18-10-8-15-11-17(20(25)27-6)9-7-16(15)12-18/h7-12,19H,13-14H2,1-6H3
InChIKeyXFIRFAWGJSBMDI-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.43
Rot. Bonds3

About 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate

6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate (PubChem CID 145333546) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate.

Molecular Properties

Compound Name6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate
PubChem CID145333546
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)ccc2c1
InChIInChI=1S/C23H29NO4/c1-22(2)13-19(14-23(3,4)24(22)5)28-21(26)18-10-8-15-11-17(20(25)27-6)9-7-16(15)12-18/h7-12,19H,13-14H2,1-6H3
InChIKeyXFIRFAWGJSBMDI-UHFFFAOYSA-N
XLogP4.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate with MolForge

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Related Compounds

1-O,3-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) benzene-1,3,5-tricarboxylate
CID 122697085
CID 140598437
CID 140598437
bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate
CID 118874290
(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-fluoro-2-iodobenzoate
CID 170392995
2-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonylphenyl]propan-2-yl 2-hydroxy-3,5-diiodobenzoate
CID 170393172
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
ethane;methyl naphthalene-2-carboxylate
CID 143895262
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-fluoro-5-iodobenzoate
CID 170392992
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886

Frequently Asked Questions

What is the IUPAC name of 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate?
The IUPAC name of 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate (CID 145333546) is 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate.
What is the SMILES notation for 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate?
The canonical SMILES for 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate is COC(=O)c1ccc2cc(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)ccc2c1.
What is the InChIKey of 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate?
The InChIKey is XFIRFAWGJSBMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-22(2)13-19(14-23(3,4)24(22)5)28-21(26)18-10-8-15-11-17(20(25)27-6)9-7-16(15)12-18/h7-12,19H,13-14H2,1-6H3.
What are the key properties of 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate?
6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate has a molecular weight of 383.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate is sourced from PubChem (CID 145333546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).