4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione

C13H23N3O3 — CID 66075229

IUPAC4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione
SMILESCCC(CCN)CCC(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C13H23N3O3/c1-3-10(6-7-14)4-5-12(18)16-8-11(17)15-13(19)9(16)2/h9-10H,3-8,14H2,1-2H3,(H,15,17,19)
InChIKeyZZCVQKJYSXNJOP-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.02
Rot. Bonds6

About 4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione

4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione (PubChem CID 66075229) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione
PubChem CID66075229
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione
SMILESCCC(CCN)CCC(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C13H23N3O3/c1-3-10(6-7-14)4-5-12(18)16-8-11(17)15-13(19)9(16)2/h9-10H,3-8,14H2,1-2H3,(H,15,17,19)
InChIKeyZZCVQKJYSXNJOP-UHFFFAOYSA-N
XLogP0.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.02
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

3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 66061602
3-[[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 81069320
4-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-methylpiperazine-2,6-dione
CID 66063090
4-(2-tert-butylsulfanylacetyl)-3-methylpiperazine-2,6-dione
CID 66063693
4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 66061914
4-[2-(1-methoxycyclobutyl)acetyl]-3-methylpiperazine-2,6-dione
CID 103557215
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione
CID 81169141
2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 66074486

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione (CID 66075229) is 4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione is CCC(CCN)CCC(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione?
The InChIKey is ZZCVQKJYSXNJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-10(6-7-14)4-5-12(18)16-8-11(17)15-13(19)9(16)2/h9-10H,3-8,14H2,1-2H3,(H,15,17,19).
What are the key properties of 4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione?
4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione has a molecular weight of 269.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-4-ethylhexanoyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66075229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).