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

C17H33N3O2 — CID 13446525

IUPACN-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide
SMILESCC(=O)NCCCCN(C(C)=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H33N3O2/c1-13(21)18-9-7-8-10-20(14(2)22)15-11-16(3,4)19-17(5,6)12-15/h15,19H,7-12H2,1-6H3,(H,18,21)
InChIKeyJFYNFQXLDJLVRK-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.06
Rot. Bonds6

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

N-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide (PubChem CID 13446525) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide
PubChem CID13446525
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide
SMILESCC(=O)NCCCCN(C(C)=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H33N3O2/c1-13(21)18-9-7-8-10-20(14(2)22)15-11-16(3,4)19-17(5,6)12-15/h15,19H,7-12H2,1-6H3,(H,18,21)
InChIKeyJFYNFQXLDJLVRK-UHFFFAOYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.06
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-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide?
The IUPAC name of N-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide (CID 13446525) is N-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide.
What is the SMILES notation for N-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide?
The canonical SMILES for N-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide is CC(=O)NCCCCN(C(C)=O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide?
The InChIKey is JFYNFQXLDJLVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-13(21)18-9-7-8-10-20(14(2)22)15-11-16(3,4)19-17(5,6)12-15/h15,19H,7-12H2,1-6H3,(H,18,21).
What are the key properties of N-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide?
N-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide has a molecular weight of 311.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl]acetamide is sourced from PubChem (CID 13446525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).