4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one

C13H24N2O2 — CID 130266300

IUPAC4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one
SMILESCC(C)(C)CC(C)(C)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)9-13(4,5)11(17)15-7-6-14-10(16)8-15/h6-9H2,1-5H3,(H,14,16)
InChIKeyNIABJWLOXLZGIE-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds2

About 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one

4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one (PubChem CID 130266300) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one
PubChem CID130266300
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one
SMILESCC(C)(C)CC(C)(C)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)9-13(4,5)11(17)15-7-6-14-10(16)8-15/h6-9H2,1-5H3,(H,14,16)
InChIKeyNIABJWLOXLZGIE-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971
4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
CID 56831864
4-(2,2-dimethylbutanoyl)-1,4-diazepan-2-one
CID 62897191
1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 160882025
4-(2,2,2-trifluoroacetyl)piperazin-2-one
CID 62733743
2-methyl-2-(3-oxopiperazine-1-carbonyl)butanethioamide
CID 114291850
4-acetylpiperazin-2-one
CID 12744517
4-(2-tert-butylsulfanylacetyl)piperazin-2-one
CID 35795928
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948
4-(3,3-dimethylbut-1-en-2-yl)piperazin-2-one
CID 167021506
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594
4-(2-amino-2-phenylpropanoyl)piperazin-2-one
CID 62487867

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one?
The IUPAC name of 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one (CID 130266300) is 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one?
The canonical SMILES for 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one is CC(C)(C)CC(C)(C)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one?
The InChIKey is NIABJWLOXLZGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)9-13(4,5)11(17)15-7-6-14-10(16)8-15/h6-9H2,1-5H3,(H,14,16).
What are the key properties of 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one?
4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one is sourced from PubChem (CID 130266300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).