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

C24H39N3O2 — CID 142858822

IUPAC1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
SMILESCCCCCCCNC(=O)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C24H39N3O2/c1-6-7-8-9-10-15-25-21(28)18-11-13-19(14-12-18)22(29)26-20-16-23(2,3)27-24(4,5)17-20/h11-14,20,27H,6-10,15-17H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyGCGZSAIEJZNQJB-UHFFFAOYSA-N
MW401.60 g/mol
LogP4.43
Rot. Bonds9

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

1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide (PubChem CID 142858822) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is 1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
PubChem CID142858822
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
SMILESCCCCCCCNC(=O)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C24H39N3O2/c1-6-7-8-9-10-15-25-21(28)18-11-13-19(14-12-18)22(29)26-20-16-23(2,3)27-24(4,5)17-20/h11-14,20,27H,6-10,15-17H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyGCGZSAIEJZNQJB-UHFFFAOYSA-N
XLogP4.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide (CID 142858822) is 1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide is CCCCCCCNC(=O)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide?
The InChIKey is GCGZSAIEJZNQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-6-7-8-9-10-15-25-21(28)18-11-13-19(14-12-18)22(29)26-20-16-23(2,3)27-24(4,5)17-20/h11-14,20,27H,6-10,15-17H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide?
1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide has a molecular weight of 401.60 g/mol, XLogP of 4.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 142858822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).