N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide

C20H39N3O2 — CID 13446526

IUPACN-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide
SMILESCC(=O)NCCCCCCCN(C(C)=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H39N3O2/c1-16(24)21-12-10-8-7-9-11-13-23(17(2)25)18-14-19(3,4)22-20(5,6)15-18/h18,22H,7-15H2,1-6H3,(H,21,24)
InChIKeyROVIMHWXTFQHDA-UHFFFAOYSA-N
MW353.55 g/mol
LogP3.23
Rot. Bonds9

About N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide

N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide (PubChem CID 13446526) has the molecular formula C20H39N3O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide.

Molecular Properties

Compound NameN-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide
PubChem CID13446526
Molecular FormulaC20H39N3O2
Molecular Weight353.55 g/mol
Exact Mass353.30
IUPAC NameN-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide
SMILESCC(=O)NCCCCCCCN(C(C)=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H39N3O2/c1-16(24)21-12-10-8-7-9-11-13-23(17(2)25)18-14-19(3,4)22-20(5,6)15-18/h18,22H,7-15H2,1-6H3,(H,21,24)
InChIKeyROVIMHWXTFQHDA-UHFFFAOYSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.23
H-Bond Donors ≤ 52
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 N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide?
The IUPAC name of N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide (CID 13446526) is N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide.
What is the SMILES notation for N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide?
The canonical SMILES for N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide is CC(=O)NCCCCCCCN(C(C)=O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide?
The InChIKey is ROVIMHWXTFQHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O2/c1-16(24)21-12-10-8-7-9-11-13-23(17(2)25)18-14-19(3,4)22-20(5,6)15-18/h18,22H,7-15H2,1-6H3,(H,21,24).
What are the key properties of N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide?
N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide has a molecular weight of 353.55 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptyl]acetamide is sourced from PubChem (CID 13446526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).