4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione

C10H17N3O3 — CID 66085002

IUPAC4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione
SMILESCC(C)(N)CCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H17N3O3/c1-10(2,11)4-3-9(16)13-5-7(14)12-8(15)6-13/h3-6,11H2,1-2H3,(H,12,14,15)
InChIKeyYDRBQNHFSYUZKW-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.01
Rot. Bonds3

About 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione

4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione (PubChem CID 66085002) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione
PubChem CID66085002
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione
SMILESCC(C)(N)CCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H17N3O3/c1-10(2,11)4-3-9(16)13-5-7(14)12-8(15)6-13/h3-6,11H2,1-2H3,(H,12,14,15)
InChIKeyYDRBQNHFSYUZKW-UHFFFAOYSA-N
XLogP-1.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one
CID 23091988
4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
CID 64682222
4-(3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66083698
4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one
CID 107217564
4-amino-4-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
CID 102743762
4-(5-chloropentanoyl)piperazine-2,6-dione
CID 66085850
4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione
CID 79261626
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594
4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409348
4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
CID 66370433
N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 66084386
N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 66085926

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione (CID 66085002) is 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione is CC(C)(N)CCC(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione?
The InChIKey is YDRBQNHFSYUZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,11)4-3-9(16)13-5-7(14)12-8(15)6-13/h3-6,11H2,1-2H3,(H,12,14,15).
What are the key properties of 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione?
4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione has a molecular weight of 227.26 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione is sourced from PubChem (CID 66085002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).