2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone

C13H27N3O — CID 115888267

IUPAC2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCCC(C)(C)NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-5-6-13(2,3)14-11-12(17)16-9-7-15(4)8-10-16/h14H,5-11H2,1-4H3
InChIKeyHYDKFEHWPZQSCT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds5

About 2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone

2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 115888267) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID115888267
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCCC(C)(C)NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-5-6-13(2,3)14-11-12(17)16-9-7-15(4)8-10-16/h14H,5-11H2,1-4H3
InChIKeyHYDKFEHWPZQSCT-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone
CID 113229337
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
CID 112723929
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 54948974
2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 78928308
1-(4-methylpiperazin-1-yl)-2-(methylsulfamoylamino)ethanone
CID 110605960
1-(4-methylpiperazin-1-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695559
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 112723927
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone (CID 115888267) is 2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone is CCCC(C)(C)NCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HYDKFEHWPZQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-6-13(2,3)14-11-12(17)16-9-7-15(4)8-10-16/h14H,5-11H2,1-4H3.
What are the key properties of 2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone?
2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 241.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 115888267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).