(2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate

C40H48N2O4 — CID 118874246

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccc3c(-c4cc5ccccc5cc4C(=O)OC4CC(C)(C)NC(C)(C)C4)cccc3c2)CC(C)(C)N1
InChIInChI=1S/C40H48N2O4/c1-37(2)21-29(22-38(3,4)41-37)45-35(43)28-16-17-31-27(18-28)14-11-15-32(31)33-19-25-12-9-10-13-26(25)20-34(33)36(44)46-30-23-39(5,6)42-40(7,8)24-30/h9-20,29-30,41-42H,21-24H2,1-8H3
InChIKeyIVPJPWAPCGTKBN-UHFFFAOYSA-N
MW620.83 g/mol
LogP8.59
Rot. Bonds5

About (2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate

(2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate (PubChem CID 118874246) has the molecular formula C40H48N2O4 and a molecular weight of 620.83 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate
PubChem CID118874246
Molecular FormulaC40H48N2O4
Molecular Weight620.83 g/mol
Exact Mass620.36
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccc3c(-c4cc5ccccc5cc4C(=O)OC4CC(C)(C)NC(C)(C)C4)cccc3c2)CC(C)(C)N1
InChIInChI=1S/C40H48N2O4/c1-37(2)21-29(22-38(3,4)41-37)45-35(43)28-16-17-31-27(18-28)14-11-15-32(31)33-19-25-12-9-10-13-26(25)20-34(33)36(44)46-30-23-39(5,6)42-40(7,8)24-30/h9-20,29-30,41-42H,21-24H2,1-8H3
InChIKeyIVPJPWAPCGTKBN-UHFFFAOYSA-N
XLogP8.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.83
LogP ≤ 58.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate (CID 118874246) is (2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate is CC1(C)CC(OC(=O)c2ccc3c(-c4cc5ccccc5cc4C(=O)OC4CC(C)(C)NC(C)(C)C4)cccc3c2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate?
The InChIKey is IVPJPWAPCGTKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N2O4/c1-37(2)21-29(22-38(3,4)41-37)45-35(43)28-16-17-31-27(18-28)14-11-15-32(31)33-19-25-12-9-10-13-26(25)20-34(33)36(44)46-30-23-39(5,6)42-40(7,8)24-30/h9-20,29-30,41-42H,21-24H2,1-8H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate?
(2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate has a molecular weight of 620.83 g/mol, XLogP of 8.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate is sourced from PubChem (CID 118874246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).