4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one

C14H26N2O2 — CID 23790775

IUPAC4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
SMILESCCC(C)C(C)CC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-6-10(2)11(3)9-12(17)16-8-7-15-13(18)14(16,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyYNKQKVXJOVGWDJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds4

About 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one

4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 23790775) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
PubChem CID23790775
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
SMILESCCC(C)C(C)CC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-6-10(2)11(3)9-12(17)16-8-7-15-13(18)14(16,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyYNKQKVXJOVGWDJ-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-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

3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63607388
4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63607222
N-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 63605846
4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one
CID 103209266
4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one
CID 63608228
4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 63608085
3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one
CID 63362374
2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 63606570

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one (CID 23790775) is 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one is CCC(C)C(C)CC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is YNKQKVXJOVGWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-10(2)11(3)9-12(17)16-8-7-15-13(18)14(16,4)5/h10-11H,6-9H2,1-5H3,(H,15,18).
What are the key properties of 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one?
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 23790775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).