2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide

C14H28N4O2 — CID 112723927

IUPAC2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)CNC(C)(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-14(2,3)15-10-12(19)18-8-6-17(7-9-18)11-13(20)16(4)5/h15H,6-11H2,1-5H3
InChIKeyVNDMAKBZBUOQTI-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.39
Rot. Bonds4

About 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 112723927) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID112723927
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)CNC(C)(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-14(2,3)15-10-12(19)18-8-6-17(7-9-18)11-13(20)16(4)5/h15H,6-11H2,1-5H3
InChIKeyVNDMAKBZBUOQTI-UHFFFAOYSA-N
XLogP-0.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
4-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302753
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 103929106
2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 78925625
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane
CID 162725444
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
CID 112723929
2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 78928308
2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
CID 60699636
4,7-bis(carboxymethyl)-10-[2-(dimethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylic acid
CID 20603350
2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 140912213
2-[4-(4-hydroxybutanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 79204679
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 112723927) is 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C(=O)CNC(C)(C)C)CC1.
What is the InChIKey of 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is VNDMAKBZBUOQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-14(2,3)15-10-12(19)18-8-6-17(7-9-18)11-13(20)16(4)5/h15H,6-11H2,1-5H3.
What are the key properties of 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 284.40 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 112723927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).