4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione

C11H21N3O2 — CID 66062279

IUPAC4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(CN)C(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-7-10(16)13-9(15)6-14(7)8(5-12)11(2,3)4/h7-8H,5-6,12H2,1-4H3,(H,13,15,16)
InChIKeyOOZYNTGSBDNRCZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds2

About 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione

4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione (PubChem CID 66062279) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione
PubChem CID66062279
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(CN)C(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-7-10(16)13-9(15)6-14(7)8(5-12)11(2,3)4/h7-8H,5-6,12H2,1-4H3,(H,13,15,16)
InChIKeyOOZYNTGSBDNRCZ-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione with MolForge

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Related Compounds

4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione
CID 66061881
methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate
CID 66061767
4-[2-(tert-butylamino)ethyl]-3-methylpiperazine-2,6-dione
CID 107446487
3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione
CID 113462240
4-(1-amino-3,3-dimethylbutan-2-yl)-1,4-diazepan-2-one
CID 65361617
4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one
CID 64682377
4-[2-amino-1-(3-methoxyphenyl)propyl]-3-methylpiperazine-2,6-dione
CID 66062272
4-[2-amino-1-(2-bromophenyl)butyl]-3-methylpiperazine-2,6-dione
CID 66063449
4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione
CID 66073881
4-(2-tert-butylsulfanylacetyl)-3-methylpiperazine-2,6-dione
CID 66063693
4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione
CID 66067337
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylpiperazine-2,6-dione
CID 79810708

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione (CID 66062279) is 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(CN)C(C)(C)C.
What is the InChIKey of 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione?
The InChIKey is OOZYNTGSBDNRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7-10(16)13-9(15)6-14(7)8(5-12)11(2,3)4/h7-8H,5-6,12H2,1-4H3,(H,13,15,16).
What are the key properties of 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione?
4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione has a molecular weight of 227.31 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).