N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide

C15H28N4O3 — CID 108522547

IUPACN-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC(=O)N(CCN)C(=O)C(=O)N1C(C)(C)CC(N)CC1(C)C
InChIInChI=1S/C15H28N4O3/c1-10(20)18(7-6-16)12(21)13(22)19-14(2,3)8-11(17)9-15(19,4)5/h11H,6-9,16-17H2,1-5H3
InChIKeyWSJZQMRUYHYVLI-UHFFFAOYSA-N
MW312.41 g/mol
LogP-0.17
Rot. Bonds2

About N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide

N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108522547) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108522547
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC NameN-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC(=O)N(CCN)C(=O)C(=O)N1C(C)(C)CC(N)CC1(C)C
InChIInChI=1S/C15H28N4O3/c1-10(20)18(7-6-16)12(21)13(22)19-14(2,3)8-11(17)9-15(19,4)5/h11H,6-9,16-17H2,1-5H3
InChIKeyWSJZQMRUYHYVLI-UHFFFAOYSA-N
XLogP-0.17
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide (CID 108522547) is N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide is CC(=O)N(CCN)C(=O)C(=O)N1C(C)(C)CC(N)CC1(C)C.
What is the InChIKey of N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is WSJZQMRUYHYVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-10(20)18(7-6-16)12(21)13(22)19-14(2,3)8-11(17)9-15(19,4)5/h11H,6-9,16-17H2,1-5H3.
What are the key properties of N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide?
N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 312.41 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2-aminoethyl)-2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108522547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).