1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide

C26H42N4O2 — CID 6451919

IUPAC1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
SMILESCC1(C)CC(NC(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1
InChIInChI=1S/C26H42N4O2/c1-23(2)13-19(14-24(3,4)29-23)27-21(31)17-10-9-11-18(12-17)22(32)28-20-15-25(5,6)30-26(7,8)16-20/h9-12,19-20,29-30H,13-16H2,1-8H3,(H,27,31)(H,28,32)
InChIKeyOYNOCRWQLLIRON-UHFFFAOYSA-N
MW442.65 g/mol
LogP3.76
Rot. Bonds4

About 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide

1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide (PubChem CID 6451919) has the molecular formula C26H42N4O2 and a molecular weight of 442.65 g/mol. Its IUPAC name is 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
PubChem CID6451919
Molecular FormulaC26H42N4O2
Molecular Weight442.65 g/mol
Exact Mass442.33
IUPAC Name1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
SMILESCC1(C)CC(NC(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1
InChIInChI=1S/C26H42N4O2/c1-23(2)13-19(14-24(3,4)29-23)27-21(31)17-10-9-11-18(12-17)22(32)28-20-15-25(5,6)30-26(7,8)16-20/h9-12,19-20,29-30H,13-16H2,1-8H3,(H,27,31)(H,28,32)
InChIKeyOYNOCRWQLLIRON-UHFFFAOYSA-N
XLogP3.76
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.65
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide (CID 6451919) is 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide is CC1(C)CC(NC(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1.
What is the InChIKey of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide?
The InChIKey is OYNOCRWQLLIRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O2/c1-23(2)13-19(14-24(3,4)29-23)27-21(31)17-10-9-11-18(12-17)22(32)28-20-15-25(5,6)30-26(7,8)16-20/h9-12,19-20,29-30H,13-16H2,1-8H3,(H,27,31)(H,28,32).
What are the key properties of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide has a molecular weight of 442.65 g/mol, XLogP of 3.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 6451919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).