2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide

C13H27N3O — CID 65462165

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1CCNCC1(C)C
InChIInChI=1S/C13H27N3O/c1-11(2)5-6-15-12(17)9-16-8-7-14-10-13(16,3)4/h11,14H,5-10H2,1-4H3,(H,15,17)
InChIKeyFUILSJKCWQCEQY-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds5

About 2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide

2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 65462165) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID65462165
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1CCNCC1(C)C
InChIInChI=1S/C13H27N3O/c1-11(2)5-6-15-12(17)9-16-8-7-14-10-13(16,3)4/h11,14H,5-10H2,1-4H3,(H,15,17)
InChIKeyFUILSJKCWQCEQY-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide (CID 65462165) is 2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN1CCNCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is FUILSJKCWQCEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)5-6-15-12(17)9-16-8-7-14-10-13(16,3)4/h11,14H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide?
2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 65462165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).