4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one

C12H23N3O2 — CID 65292594

IUPAC4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
SMILESCC(C)(CCN)CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H23N3O2/c1-12(2,5-6-13)4-3-11(17)15-8-7-14-10(16)9-15/h3-9,13H2,1-2H3,(H,14,16)
InChIKeySHPRPEUVCMVOJZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds5

About 4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one

4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one (PubChem CID 65292594) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
PubChem CID65292594
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
SMILESCC(C)(CCN)CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H23N3O2/c1-12(2,5-6-13)4-3-11(17)15-8-7-14-10(16)9-15/h3-9,13H2,1-2H3,(H,14,16)
InChIKeySHPRPEUVCMVOJZ-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
CID 119681640
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948
4-(2-tert-butylsulfanylacetyl)piperazin-2-one
CID 35795928
N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
CID 134028981
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971
4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
CID 65290869
4-(3-ethoxypropanoyl)piperazin-2-one
CID 62849149
4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one
CID 130266300
6-amino-1-(4-hydroxypiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65293101
4-(3-propoxypropanoyl)piperazin-2-one
CID 62848969
4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one
CID 47246051

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one?
The IUPAC name of 4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one (CID 65292594) is 4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one.
What is the SMILES notation for 4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one?
The canonical SMILES for 4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one is CC(C)(CCN)CCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one?
The InChIKey is SHPRPEUVCMVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,5-6-13)4-3-11(17)15-8-7-14-10(16)9-15/h3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one?
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one is sourced from PubChem (CID 65292594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).